data_2y9t_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 2y9t _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 ' 547' ' ' CYS . . . . . 0.441 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 63.1 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 121.063 0.459 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 p -105.28 155.53 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.271 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 549' ' ' ILE . 20.1 mm -64.11 -27.86 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.58 -49.66 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -77.87 -36.21 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.345 0.593 . . . . 0.0 109.801 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.448 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.8 t80 -61.36 -45.98 92.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.412 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 30.6 mt -74.06 -38.5 63.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.56 -39.65 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.781 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -65.03 -29.34 70.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.728 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.55 -18.24 22.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.94 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 82.1 m -151.17 45.07 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.5 m -61.18 -27.22 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -62.78 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.215 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.62 -19.76 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.411 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.97 -37.91 47.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 111.534 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.47 -37.07 56.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.402 ' CD2' ' HD2' ' A' ' 588' ' ' LYS . 37.8 m-85 -70.48 -33.72 71.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' A' ' 587' ' ' LEU . 44.5 m-85 -75.38 -48.83 21.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.5 p -60.98 -39.52 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -55.72 -20.82 15.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.551 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.527 ' HB3' HD13 ' A' ' 570' ' ' LEU . 2.7 tp-100 -109.35 -13.7 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.412 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 107.9 28.21 4.83 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.622 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 568' ' ' GLN . 1.0 OUTLIER -118.48 114.92 23.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.022 0.411 . . . . 0.0 110.767 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 4.6 p -118.52 -22.05 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.559 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.6 p -108.94 147.86 31.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.726 0.298 . . . . 0.0 111.321 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.441 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 8.0 tt -62.4 -38.68 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.329 0.585 . . . . 0.0 109.83 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -56.69 -36.67 69.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -22.12 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.472 HG22 HD11 ' A' ' 576' ' ' ILE . 28.6 pt -123.98 15.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.426 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.86 -28.75 6.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.506 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -118.62 29.04 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.185 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.511 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.25 143.75 42.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.464 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 48.0 p -100.37 165.64 11.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.017 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.417 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 6.3 ttm -59.49 -28.71 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -52.19 36.0 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.431 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.405 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 38.3 m-20 -58.32 -46.89 85.32 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.033 0.444 . . . . 0.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.01 -36.54 75.1 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.161 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.038 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 t -62.41 -40.26 95.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -63.84 -17.59 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.287 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 5.6 ttmt 101.16 17.28 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.925 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.476 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -79.82 124.21 83.46 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.087 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.84 161.6 4.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.797 2.331 . . . . 0.0 113.028 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.455 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.3 tp10 -67.83 -31.6 71.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -71.75 -20.83 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -107.39 -40.02 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.286 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.6 ptp180 -55.37 -36.53 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . 0.417 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 1.5 t-160 -66.17 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.94 -51.77 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.369 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.448 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 68.3 mt -59.1 -47.8 88.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.349 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -56.54 -41.0 76.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -59.76 -44.35 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.123 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.96 -41.4 99.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.147 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.461 HD11 HG22 ' A' ' 601' ' ' ILE . 36.0 mm -64.49 -43.33 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.22 -44.49 95.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.013 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.461 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.075 0.464 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.26 152.19 23.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.264 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 14.0 mm -63.79 -26.92 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.56 -49.69 79.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.07 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.235 0.54 . . . . 0.0 109.777 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' A' ' 573' ' ' ILE . 1.0 OUTLIER -61.85 -45.45 93.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.363 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.11 -39.31 63.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.99 71.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.19 -28.73 69.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.52 -18.15 19.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.17 48.42 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 97.3 m -148.41 44.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -27.69 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -23.31 66.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.6 m -72.11 -19.87 61.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -37.6 57.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.51 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.41 -36.62 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.007 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.1 m-85 -70.82 -33.94 71.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 587' ' ' LEU . 46.3 m-85 -75.39 -48.77 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.977 0.418 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.5 p -60.7 -41.01 94.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 3.0 p -57.89 -19.64 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.327 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.418 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.22 -13.6 15.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.669 0.271 . . . . 0.0 111.461 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.29 28.03 6.26 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.772 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.518 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.2 mp -119.19 114.07 21.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.0 p -117.05 -28.32 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.72 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 13.9 p -99.62 151.65 20.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 111.385 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.461 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -66.59 -37.29 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.343 0.592 . . . . 0.0 109.493 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -21.98 42.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 33.6 pt -123.57 15.27 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.36 -27.77 6.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.31 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.25 29.21 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.19 141.55 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.459 0.647 . . . . 0.0 112.501 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.9 p -100.51 170.04 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.948 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -28.32 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -50.73 48.46 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.392 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.76 -49.96 75.38 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.64 -34.51 69.41 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.936 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.29 -33.13 61.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.32 83.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.98 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 565' ' ' PHE . 0.2 OUTLIER -70.85 -8.88 55.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.041 178.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.2 OUTLIER 85.31 24.87 0.08 Allowed 'General case' 0 C--N 1.338 0.09 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.21 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.4 mp -81.11 129.84 65.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.176 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.25 153.9 15.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.899 2.399 . . . . 0.0 113.173 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -67.19 -28.16 67.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -74.43 -24.91 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.44 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.76 -36.11 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.295 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.48 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.1 ptp180 -54.72 -37.69 66.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.991 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -50.01 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.665 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.39 -52.07 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.43 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 66.9 mt -60.18 -48.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -55.78 -41.78 74.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -59.23 -45.65 90.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.214 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.68 95.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.067 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.435 HD13 ' CE2' ' A' ' 552' ' ' PHE . 30.3 mm -65.99 -38.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.62 -42.04 87.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.068 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.578 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 1.8 t . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 55.1 p -104.82 158.23 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.349 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 5.3 mm -65.59 -28.97 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.22 -49.71 79.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -35.21 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.239 0.542 . . . . 0.0 110.008 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.45 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.8 t80 -62.4 -45.64 92.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.504 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.06 -41.6 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.674 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.14 -37.23 69.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -64.22 -29.82 70.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 552' ' ' PHE . 4.3 mt -97.95 -18.09 18.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 87.34 47.24 4.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 53.2 m -143.76 42.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 2.6 m -61.26 -29.27 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.38 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.1 m -70.65 -19.77 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -37.03 40.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -52.54 -36.5 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.7 m-85 -70.6 -33.92 71.59 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.915 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 587' ' ' LEU . 47.5 m-85 -75.29 -48.84 21.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.41 -37.51 83.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -21.61 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.45 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.439 ' HB3' HD13 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -108.05 -13.53 14.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.63 0.253 . . . . 0.0 111.363 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.72 10.5 24.81 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.477 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -93.97 111.97 23.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.033 0.416 . . . . 0.0 110.691 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 50.9 p -110.04 -38.11 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.2 p -96.53 153.7 17.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.574 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.578 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 5.3 tt -78.49 -26.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.82 -39.72 78.29 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.922 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.51 -28.44 65.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.422 ' HA ' ' CD2' ' A' ' 579' ' ' TYR . 20.1 pt -111.42 15.05 8.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.213 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.71 -29.09 24.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -116.69 26.76 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -71.3 141.65 50.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.347 0.594 . . . . 0.0 112.28 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.0 p -100.55 166.91 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.049 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.42 67.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -67.39 -52.09 44.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.403 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -58.45 -47.84 82.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.46 -35.1 71.64 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.702 0.763 . . . . 0.0 109.992 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.85 61.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.762 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.7 t -64.14 -36.77 85.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.098 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -67.89 -13.03 61.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.826 178.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 94.1 19.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.115 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.489 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.8 mp -80.65 123.99 82.22 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.791 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 149.91 39.98 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.768 2.312 . . . . 0.0 113.047 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.5 tt0 -56.92 -32.32 65.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.09 -15.63 62.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.415 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -112.61 -48.54 3.0 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.451 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 0.1 OUTLIER -55.68 -26.21 43.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.57 0.224 . . . . 0.0 111.353 -179.304 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -50.25 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.32 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.0 110.312 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.45 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 51.5 mt -60.68 -43.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.213 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.424 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.7 t90 -58.71 -45.71 88.93 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.046 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -55.8 -43.5 76.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.24 97.98 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.746 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . . . . . . . . . 19.4 mt -61.7 -41.36 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.336 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.04 -42.99 95.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.447 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 4.1 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.982 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 55.1 p -105.29 153.55 21.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.34 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.451 HD13 HG22 ' A' ' 549' ' ' ILE . 20.7 mm -64.36 -28.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.2 -49.79 81.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 p -78.23 -35.46 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.247 0.546 . . . . 0.0 110.178 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.446 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.1 t80 -61.6 -49.67 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.592 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.15 -41.04 64.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.94 -35.58 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -28.44 64.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 70.1 mt -92.62 -18.16 23.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.233 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.77 44.08 5.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.567 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 99.3 m -147.05 43.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 56.0 p -61.26 -28.52 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 87.4 p -62.05 -25.83 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -71.07 -19.99 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.488 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.58 -35.68 54.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.9 m-85 -70.48 -35.02 73.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 587' ' ' LEU . 53.3 m-85 -75.31 -48.62 22.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 p -59.33 -44.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 30.9 p -57.7 -19.86 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -103.66 -13.59 16.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.663 0.268 . . . . 0.0 111.522 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.42 3.98 37.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.984 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.519 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -94.37 115.98 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.4 p -119.86 -24.09 6.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.9 p -107.15 149.39 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.349 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.447 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -64.42 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.93 -36.18 69.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.755 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -57.83 -21.86 44.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 27.3 pt -121.62 15.54 5.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.556 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.22 -26.02 16.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 111.202 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -117.79 25.07 10.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.519 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.8 142.53 44.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.418 0.627 . . . . 0.0 112.472 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 27.5 p -100.55 165.81 11.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.845 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.421 ' HE2' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -58.33 -29.85 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.86 -51.15 51.54 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.298 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -59.09 -44.78 91.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 110.328 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 565' ' ' PHE . 0.4 OUTLIER -61.0 -35.7 77.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.647 0.736 . . . . 0.0 109.782 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.37 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.837 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.12 98.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.068 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.578 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -61.86 -19.79 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.883 178.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 15.2 tttm 100.39 20.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.917 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.426 HD12 HD22 ' A' ' 584' ' ' LEU . 1.6 mp -78.94 127.12 80.82 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.325 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.32 160.95 4.23 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.84 2.36 . . . . 0.0 112.949 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.2 OUTLIER -72.2 -25.61 61.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.83 -16.63 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -113.57 -34.14 5.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.2 ptp180 -54.88 -38.37 67.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.218 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -50.07 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.44 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 41.0 mt -60.11 -49.46 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.421 ' CE3' ' HE2' ' A' ' 581' ' ' MET . 12.3 t90 -55.01 -41.84 71.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.81 -44.96 93.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.24 -40.3 97.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.178 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.443 HD13 ' CE1' ' A' ' 552' ' ' PHE . 38.3 mm -65.14 -46.55 90.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.05 -35.55 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.451 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 78.8 p -105.41 154.02 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.62 -27.16 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 109.711 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.33 -49.58 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -35.24 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.158 0.504 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.1 t80 -62.04 -50.97 69.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.346 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 38.4 mt -71.3 -38.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.25 72.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -28.84 70.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.829 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.35 -18.23 21.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.97 30.85 24.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.695 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.9 p -133.65 41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 p -56.84 -22.56 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 32.5 m -74.64 -19.61 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.549 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -37.69 43.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.569 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.56 -37.39 57.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.555 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 33.4 m-85 -70.68 -33.27 70.74 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' A' ' 587' ' ' LEU . 45.4 m-85 -75.15 -48.75 22.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.4 p -60.57 -40.98 93.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.45 -20.98 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.374 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.94 -13.62 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.46 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.58 6.36 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.822 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -114.6 112.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 7.8 m -118.64 -27.59 5.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.839 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 4.9 p -101.59 146.89 27.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.311 . . . . 0.0 111.425 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.451 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -62.21 -36.97 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.314 0.578 . . . . 0.0 109.667 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.09 -35.58 71.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.914 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -22.09 42.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.482 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 30.4 pt -124.01 15.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.613 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -50.26 -31.13 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -118.49 27.76 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.177 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.01 144.54 48.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 0.0 112.302 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.65 162.34 12.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.912 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.406 ' CG ' ' NH2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -55.88 -31.1 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.92 -53.19 34.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.552 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -56.62 -47.57 79.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.042 0.449 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.93 -35.81 73.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.96 -32.44 61.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.986 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.1 t -63.3 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.312 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -65.21 -16.15 63.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.179 179.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 41.6 tttt 101.53 17.2 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.25 0.62 . . . . 0.0 112.084 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 584' ' ' LEU . 2.4 mp -84.01 122.88 76.09 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 120.071 -0.651 . . . . 0.0 110.043 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 163.73 10.67 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.678 2.252 . . . . 0.0 112.73 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 36.9 tt0 -64.07 -35.72 81.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -67.2 -14.83 63.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.419 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -113.71 -50.22 2.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 0.1 OUTLIER -55.78 -31.71 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.514 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.55 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.114 0.483 . . . . 0.0 110.567 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 53.9 mt -59.14 -43.13 88.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.326 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 25.1 t90 -58.1 -44.84 87.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.269 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -43.04 86.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.146 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.2 -41.9 98.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.959 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.447 HD11 HG22 ' A' ' 601' ' ' ILE . 31.2 mm -65.57 -44.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.47 -45.88 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.046 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.445 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 11.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.02 0.438 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 59.6 p -105.08 154.46 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.194 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 549' ' ' ILE . 17.9 mm -64.69 -27.54 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . 0.425 ' HA ' HD11 ' A' ' 562' ' ' LEU . 67.6 t -65.0 -49.75 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 99.6 p -77.2 -37.54 53.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.351 0.596 . . . . 0.0 109.643 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 2.2 t80 -60.12 -45.96 91.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.399 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 562' ' ' LEU . 27.7 mt -72.83 -39.14 66.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -54.9 -38.69 67.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -30.41 71.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.642 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 552' ' ' PHE . 4.9 mt -91.4 -18.14 24.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.46 41.45 6.91 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 66.6 m -151.15 48.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 65.3 m -60.54 -28.96 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 62.6 p -59.6 -27.03 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.105 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.3 m -61.0 -19.9 61.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.357 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -53.47 -38.52 63.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.513 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -52.35 -35.94 52.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 32.6 m-85 -71.32 -34.23 70.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.452 ' CD2' HD11 ' A' ' 587' ' ' LEU . 46.7 m-85 -75.17 -48.7 22.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.1 p -60.69 -41.41 95.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 16.5 p -57.18 -20.29 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 7.9 tp-100 -106.53 -13.68 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.511 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 104.83 27.96 5.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.684 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.3 mp -120.14 119.59 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.81 -24.0 4.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.855 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.4 p -106.6 149.16 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.303 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.445 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.1 tt -65.74 -40.2 87.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.166 0.507 . . . . 0.0 109.876 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.93 -38.48 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.97 -21.89 46.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 23.2 pt -122.82 15.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.505 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.31 -26.61 12.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.219 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.76 26.28 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.75 143.66 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.431 0.634 . . . . 0.0 112.33 -179.61 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.6 p -100.5 165.95 11.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.98 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.1 mtp -59.16 -29.47 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -67.26 -52.5 40.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.287 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -57.68 -50.45 73.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.124 0.488 . . . . 0.0 110.12 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.63 -36.32 66.87 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.151 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.29 61.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.963 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 m -65.83 -32.78 74.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.195 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -72.23 -9.75 58.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 95.99 14.9 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.162 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.467 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.9 mp -81.62 119.89 76.59 Favored Pre-proline 0 CA--C 1.53 0.208 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.316 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.6 166.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.853 2.369 . . . . 0.0 112.772 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.1 tt0 -66.29 -44.45 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.175 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.09 -19.62 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.417 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.78 -43.34 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.661 0.267 . . . . 0.0 111.405 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.0 ptp180 -56.56 -33.84 66.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -50.04 72.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.72 65.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.441 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 67.2 mt -58.85 -43.37 88.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.564 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.405 ' CE2' HD13 ' A' ' 602' ' ' LEU . 16.8 t90 -59.67 -45.51 91.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -42.49 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.477 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.24 94.72 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.207 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.446 HG22 HD11 ' A' ' 601' ' ' ILE . 34.1 mm -63.97 -33.09 59.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 598' ' ' TRP . 16.0 mt -67.23 -45.42 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.99 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.429 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 44.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.027 0.442 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 85.6 p -105.22 154.12 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.065 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 4.2 mm -65.27 -26.0 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 562' ' ' LEU . 95.0 t -65.89 -49.64 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.91 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 m -77.78 -36.09 50.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.529 . . . . 0.0 109.806 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.449 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.4 t80 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.332 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.84 -41.36 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.97 -37.59 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.94 -28.97 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.894 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.445 ' CD1' ' CE2' ' A' ' 552' ' ' PHE . 2.3 mt -95.12 -18.13 21.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.19 44.86 6.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 23.3 m -147.46 41.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -27.06 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -23.81 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 56.7 m -73.2 -19.87 61.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.436 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 550' ' ' VAL . 0.2 OUTLIER -50.87 -37.48 43.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.657 0.265 . . . . 0.0 111.519 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.56 -36.35 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.925 0.393 . . . . 0.0 110.641 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 27.6 m-85 -72.16 -33.16 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.864 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 587' ' ' LEU . 48.5 m-85 -75.25 -48.8 21.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.945 0.402 . . . . 0.0 110.743 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.4 p -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.815 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 5.5 p -58.1 -19.42 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.201 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 10.0 tp-100 -106.5 -13.64 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.11 6.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.644 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.513 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.3 mp -118.6 116.88 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.783 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 6.6 m -122.52 -28.43 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.626 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.3 p -101.09 145.58 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.429 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.9 tt -63.59 -39.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 109.921 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -55.61 -37.49 68.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.71 -23.32 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 43.1 pt -120.9 15.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.451 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 578' ' ' HIS . 2.6 tt0 -51.86 -26.45 10.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.756 0.312 . . . . 0.0 111.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 577' ' ' GLU . 5.5 m-70 -119.38 27.55 8.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.513 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.89 142.89 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.382 0.61 . . . . 0.0 112.32 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.8 p -100.48 167.98 10.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.993 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -29.87 69.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.04 -51.94 41.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.258 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -58.54 -47.85 82.84 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.062 0.458 . . . . 0.0 110.212 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.93 -34.11 72.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.15 -33.81 61.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.924 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -41.41 97.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.193 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.66 -18.83 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.166 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 22.8 tttp 101.22 19.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.273 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 587' ' ' LEU . 2.6 mp -85.65 116.16 64.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.27 152.12 55.37 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.984 2.456 . . . . 0.0 113.157 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 9.1 tt0 -50.65 -36.55 36.04 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.274 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -15.05 60.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -119.51 -47.09 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 0.3 OUTLIER -57.13 -31.54 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.565 0.221 . . . . 0.0 111.35 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -50.11 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.592 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.46 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.055 0.455 . . . . 0.0 110.431 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.449 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 70.3 mt -58.69 -45.17 91.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.282 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.423 ' CE2' HD13 ' A' ' 602' ' ' LEU . 21.5 t90 -57.27 -42.48 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -59.29 -44.15 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.217 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.41 -41.11 98.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.096 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 601' ' ' ILE . 33.7 mm -66.3 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.791 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 598' ' ' TRP . 16.6 mt -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.473 ' HB3' HG22 ' A' ' 573' ' ' ILE . 80.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.084 0.469 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.7 p -105.4 157.94 16.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.457 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 12.2 mm -65.65 -27.52 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.15 -49.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 29.5 t -77.17 -38.11 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.438 ' CD2' HD13 ' A' ' 573' ' ' ILE . 0.7 OUTLIER -59.87 -45.83 91.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.418 179.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 24.4 mt -74.05 -37.92 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.646 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.82 71.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 26.4 ttm105 -67.23 -27.12 66.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.2 mt -99.19 -18.08 17.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 83.45 46.89 5.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.68 43.38 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -62.25 -28.39 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.0 t -60.23 -22.37 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.9 m -75.73 -19.98 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -38.1 54.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.58 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.3 -36.67 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.98 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.409 ' CB ' HG13 ' A' ' 589' ' ' ILE . 56.9 m-85 -71.0 -33.88 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.435 ' CD1' HD11 ' A' ' 587' ' ' LEU . 54.8 m-85 -75.34 -48.52 22.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.5 p -60.45 -40.67 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 12.6 p -57.56 -21.33 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -13.56 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.372 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.0 6.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.611 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.3 mp -115.53 111.97 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.732 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 -24.28 6.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.654 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.6 p -102.67 144.18 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.297 . . . . 0.0 111.281 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 547' ' ' CYS . 6.7 tt -65.85 -38.31 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.153 0.502 . . . . 0.0 110.072 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.51 -36.08 68.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.552 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -26.46 62.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 26.0 pt -116.31 15.19 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -51.73 -26.59 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.71 0.291 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -121.16 27.09 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -70.26 139.96 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.446 0.641 . . . . 0.0 112.283 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.6 p -100.6 170.07 8.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.156 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.09 -27.72 69.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.54 -49.51 53.73 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.429 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.44 -49.37 75.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.24 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.8 -35.9 71.48 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.643 0.735 . . . . 0.0 109.853 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.31 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.976 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.07 95.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.457 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -65.2 -15.2 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 87.96 26.75 0.03 OUTLIER 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.813 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 587' ' ' LEU . 1.3 mp -75.35 127.73 85.7 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.233 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.86 151.47 20.02 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.803 2.335 . . . . 0.0 112.656 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 594' ' ' ARG . 76.2 mt-10 -67.21 -29.72 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -64.03 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.279 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -105.55 -24.45 12.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' A' ' 591' ' ' GLU . 27.1 ttm180 -54.91 -53.99 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.51 95.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.42 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.436 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 39.1 mt -62.03 -46.43 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.313 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.411 ' CE2' HD13 ' A' ' 602' ' ' LEU . 23.7 t90 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.149 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -59.95 -43.25 95.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.933 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.5 -40.74 98.15 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.882 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 601' ' ' ILE . 39.1 mm -66.53 -37.43 79.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.396 . . . . 0.0 110.75 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 598' ' ' TRP . 13.8 mt -64.56 -49.15 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.484 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 43.4 t . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.15 0.5 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.7 p -105.4 156.76 17.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 14.0 mm -65.07 -27.93 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.54 -49.93 78.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.6 t -77.53 -37.39 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.437 ' CD1' HG13 ' A' ' 573' ' ' ILE . 1.4 t80 -60.38 -46.12 91.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.379 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 23.9 mt -71.29 -42.91 68.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.1 -34.61 63.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.679 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -71.45 -30.53 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 552' ' ' PHE . 55.8 mt -92.05 -18.04 24.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.47 44.74 5.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 71.7 m -151.18 47.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 45.2 t -60.87 -28.85 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 3.1 m -62.85 -26.78 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 5.4 m -64.7 -19.78 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.377 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -37.5 63.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.635 0.255 . . . . 0.0 111.336 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.45 -35.47 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.752 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 29.5 m-85 -71.96 -34.36 68.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 587' ' ' LEU . 48.6 m-85 -75.22 -48.75 21.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 18.3 p -60.87 -41.66 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.71 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 9.2 p -57.96 -20.06 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.305 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.4 ' HB3' HD13 ' A' ' 570' ' ' LEU . 7.5 tp-100 -105.5 -13.62 15.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 28.06 6.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.61 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.493 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.7 mp -120.7 119.25 32.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.707 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 74.0 p -120.53 -29.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.682 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.8 p -101.65 154.7 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.8 tt -69.83 -39.5 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -54.06 -38.61 65.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.999 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -22.33 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 48.4 pt -120.62 15.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.59 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -51.28 -27.6 9.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.72 0.295 . . . . 0.0 111.273 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.48 28.81 7.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.493 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.27 143.04 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.325 0.583 . . . . 0.0 112.372 -179.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 30.2 p -100.38 166.62 10.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.03 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.73 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.73 -51.89 43.93 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.285 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.53 -49.97 75.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.142 0.496 . . . . 0.0 110.09 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.01 -35.22 68.98 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.384 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.07 -32.89 61.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.962 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -36.81 85.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.383 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -67.31 -15.08 63.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.4 tttt 101.08 16.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.241 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 587' ' ' LEU . 2.9 mp -83.88 116.36 64.36 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.076 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.63 160.2 9.84 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.029 2.486 . . . . 0.0 113.308 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.613 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.7 OUTLIER -61.9 -24.51 66.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.203 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.53 -17.47 59.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.786 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -116.32 -42.34 3.04 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.613 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.8 ptp180 -54.82 -29.56 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 111.171 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -50.13 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.51 79.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.162 0.506 . . . . 0.0 110.261 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.401 ' O ' HG12 ' A' ' 601' ' ' ILE . 70.4 mt -60.2 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.294 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -56.16 -42.36 76.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -59.18 -44.83 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.357 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.18 98.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.189 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 597' ' ' ILE . 37.8 mm -64.9 -35.84 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.48 -44.97 77.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 36.2 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.14 0.495 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 52.5 p -105.2 159.73 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.196 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 13.4 mm -65.18 -27.8 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.19 -49.74 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.0 m -78.12 -36.83 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.298 0.571 . . . . 0.0 109.935 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.461 ' CD2' HG13 ' A' ' 573' ' ' ILE . 2.2 t80 -60.92 -47.7 85.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.547 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 29.2 mt -74.15 -38.98 63.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -27.81 65.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.405 HD12 ' CE1' ' A' ' 552' ' ' PHE . 7.3 mt -94.94 -18.16 21.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.249 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.18 47.76 4.84 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 11.6 m -148.4 43.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -28.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -25.51 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 8.0 m -69.2 -20.04 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.395 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -38.42 61.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.448 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.41 -36.12 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -71.09 -34.15 70.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 587' ' ' LEU . 49.0 m-85 -75.23 -48.61 22.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 p -60.49 -41.15 93.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.9 p -57.23 -20.7 28.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.402 ' HB3' HD13 ' A' ' 570' ' ' LEU . 0.2 OUTLIER -106.15 -13.47 15.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.355 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.0 27.98 5.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.597 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.5 mp -118.23 115.88 25.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.758 0.314 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -29.75 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.635 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -101.24 150.91 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.288 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 5.7 tt -66.22 -40.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.418 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 21.4 m-85 -54.37 -35.73 63.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.794 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -25.79 61.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 30.9 pt -117.2 15.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.498 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -50.53 -26.79 5.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.674 0.273 . . . . 0.0 111.386 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -119.71 27.73 8.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.92 142.44 44.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 112.494 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.8 p -100.69 168.46 9.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.89 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.418 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -61.71 -29.28 69.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.5 -52.79 34.94 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.29 -45.86 83.72 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.158 0.504 . . . . 0.0 110.274 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.51 -36.93 77.01 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.078 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -43.02 99.55 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.2 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.43 -18.88 62.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.026 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 11.5 tttm 99.48 19.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.932 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.489 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -77.68 126.06 84.92 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.079 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.42 149.03 24.46 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.855 2.37 . . . . 0.0 112.623 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -30.24 70.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -69.97 -17.79 63.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.387 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -116.39 -35.39 4.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.407 ' HB3' HG23 ' A' ' 589' ' ' ILE . 3.7 ptp180 -57.14 -36.85 71.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . 0.418 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.9 OUTLIER -68.22 -49.8 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.468 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.45 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.088 0.471 . . . . 0.0 110.412 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.452 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 29.4 mt -61.22 -47.74 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.109 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -57.01 -42.11 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -59.76 -43.69 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.24 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.52 -41.7 98.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.012 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 601' ' ' ILE . 36.6 mm -64.03 -47.94 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -44.52 89.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.433 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 35.4 m . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.962 0.41 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.5 p -105.24 153.19 21.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 549' ' ' ILE . 14.6 mm -63.65 -27.75 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.96 -49.78 80.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.5 m -78.23 -36.07 47.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.194 0.521 . . . . 0.0 109.889 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.4 t80 -61.31 -45.72 93.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.43 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.05 -41.08 62.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.53 67.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.42 -28.68 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 552' ' ' PHE . 30.2 mt -93.3 -18.08 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.56 43.47 6.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.614 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.92 45.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 86.8 p -61.57 -29.79 70.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 83.4 p -59.81 -23.88 63.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.405 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.4 m -71.22 -19.93 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.523 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.36 -38.32 63.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 111.476 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.52 -35.56 53.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 36.2 m-85 -71.76 -34.11 69.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.487 ' CD1' HD11 ' A' ' 587' ' ' LEU . 49.1 m-85 -75.3 -48.86 21.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.0 p -60.82 -42.22 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 8.9 p -58.17 -19.51 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.88 -13.49 15.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.702 0.287 . . . . 0.0 111.477 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.81 28.03 6.1 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.645 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -119.75 115.83 24.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 71.6 p -121.65 -22.85 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.813 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -107.52 147.54 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.433 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -65.37 -40.12 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -54.26 -38.17 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.732 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -23.19 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.004 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 33.0 pt -120.78 15.27 6.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.508 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.99 -27.25 5.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.4 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -120.49 29.9 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.83 142.78 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 112.353 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.5 p -100.42 167.59 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.049 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.419 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 7.6 ttm -60.33 -29.46 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -52.05 40.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.316 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.6 -48.19 81.78 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.3 -36.31 73.13 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.253 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.12 -31.77 61.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.059 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.4 t -63.43 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.209 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -66.37 -15.4 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.117 179.03 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 39.7 tttt 99.04 18.48 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.138 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.467 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.9 mp -82.22 122.98 79.76 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.33 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.81 161.63 4.44 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.87 2.38 . . . . 0.0 112.831 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 45.9 mt-10 -66.93 -39.81 87.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.45 -15.49 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.552 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -113.34 -40.06 3.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.433 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.465 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.1 ptp180 -56.74 -35.65 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.147 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . 0.419 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 1.2 t-160 -65.89 -50.02 65.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.86 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.163 0.506 . . . . 0.0 110.589 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.441 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 40.8 mt -59.56 -46.84 92.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.324 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -55.44 -44.22 76.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.413 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -42.65 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.183 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.98 98.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.136 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 601' ' ' ILE . 35.7 mm -66.05 -40.72 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.23 -41.73 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 46.1 t . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.135 0.493 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.6 p -105.23 159.93 15.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.199 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 15.4 mm -65.02 -28.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.65 -49.78 80.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 48.1 t -78.14 -35.96 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.169 0.509 . . . . 0.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 573' ' ' ILE . 2.1 t80 -61.69 -46.52 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.503 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.14 -40.93 62.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.22 68.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.61 -29.09 69.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 16.4 mt -95.23 -18.1 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.98 45.39 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 92.8 m -146.02 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 22.3 p -62.03 -28.07 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.3 t -60.42 -23.38 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.425 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -73.95 -19.9 60.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.468 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -38.36 52.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.446 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -36.15 55.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.425 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.7 m-85 -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 587' ' ' LEU . 45.5 m-85 -75.37 -48.82 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 16.8 p -60.3 -41.7 93.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 13.9 p -56.03 -20.52 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.674 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.467 ' HB3' HD13 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -107.71 -13.64 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.593 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.7 27.98 5.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.455 -0.878 . . . . 0.0 113.278 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -118.01 111.94 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.549 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.33 -28.64 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.7 p -102.53 149.08 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.245 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.41 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.347 0.594 . . . . 0.0 109.668 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 38.7 m-85 -55.79 -35.58 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.989 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -22.22 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 32.2 pt -123.6 15.42 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.75 -26.57 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.721 0.296 . . . . 0.0 111.367 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.68 27.37 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.214 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.05 142.92 45.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.315 0.579 . . . . 0.0 112.522 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.1 p -100.61 168.81 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.899 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.49 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.22 -51.96 46.93 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.456 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.84 -47.41 82.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.077 0.465 . . . . 0.0 110.262 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.38 -35.06 73.22 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.245 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.34 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.858 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -41.51 97.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.195 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.569 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.27 -19.2 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.943 178.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 6.8 tmtt? 98.81 20.7 0.01 OUTLIER 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.972 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.487 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -79.94 125.74 81.32 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.183 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.94 147.75 61.23 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.685 2.257 . . . . 0.0 112.829 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 21.0 mt-10 -56.64 -27.26 58.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -16.1 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.628 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -112.37 -47.05 3.12 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 598' ' ' TRP . 0.1 OUTLIER -54.91 -29.27 55.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.586 0.231 . . . . 0.0 111.297 -179.545 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -50.25 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.722 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.94 71.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.439 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 47.4 mt -59.94 -45.13 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 20.0 t90 -57.06 -46.13 82.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.252 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -56.95 -42.29 79.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.15 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.87 99.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.045 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.452 HD11 HG22 ' A' ' 601' ' ' ILE . 33.4 mm -66.0 -41.78 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.22 -49.05 78.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.976 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.421 ' HB3' HG22 ' A' ' 573' ' ' ILE . 92.0 m . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.109 0.48 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 77.9 p -105.3 155.89 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 549' ' ' ILE . 20.9 mm -63.14 -29.39 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.52 -49.84 78.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.174 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 30.4 t -78.2 -33.2 50.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 2.3 t80 -64.56 -45.43 87.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.474 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 19.4 mt -74.01 -41.67 61.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.669 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.18 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.61 -18.13 17.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.96 50.61 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.564 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 65.1 m -149.31 41.44 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 12.0 m -61.4 -29.17 69.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 25.1 p -61.22 -25.15 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.3 m -73.77 -19.85 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.426 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -37.15 49.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.629 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.41 -36.61 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 36.3 m-85 -70.67 -34.24 71.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 589' ' ' ILE . 45.6 m-85 -75.42 -48.63 21.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.15 -37.91 84.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.47 -21.49 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.399 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.18 -13.71 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.637 0.256 . . . . 0.0 111.539 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.92 29.01 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.397 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.555 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -93.66 111.93 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.128 0.464 . . . . 0.0 110.712 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.9 m -115.06 -23.21 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -108.63 150.82 26.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.16 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.216 0.531 . . . . 0.0 109.622 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -55.04 -39.02 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.732 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -57.92 -23.57 53.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.469 ' HB ' ' CG ' ' A' ' 579' ' ' TYR . 29.8 pt -121.8 15.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.617 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.31 -25.54 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.407 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 29.69 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.288 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.555 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.52 139.9 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.518 0.675 . . . . 0.0 112.683 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 38.6 p -100.67 174.12 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.021 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -27.56 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.58 -50.35 45.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.624 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.9 -48.64 80.88 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 110.17 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.5 OUTLIER -58.11 -37.04 73.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.14 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.44 60.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.119 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 26.6 t -61.18 -43.18 99.29 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.272 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 1.0 OUTLIER -64.73 -15.5 61.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.101 178.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 4.5 ttmm 92.04 25.2 0.02 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.788 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.443 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.3 mp -77.21 129.37 78.21 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.311 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.89 153.94 10.87 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.756 2.304 . . . . 0.0 112.816 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -67.7 -30.0 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.12 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -71.14 -17.02 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -113.9 -35.24 5.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.33 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.9 ptp180 -54.91 -40.5 69.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 40.2 mt -58.92 -48.39 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.382 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -54.77 -42.98 72.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.75 -43.79 94.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.09 -41.3 98.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 552' ' ' PHE . 41.2 mm -65.07 -38.84 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.397 . . . . 0.0 110.888 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.88 -44.28 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 -179.885 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.449 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 34.9 m . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.136 0.493 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -102.06 156.38 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.273 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 4.2 mm -65.33 -28.8 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.95 -49.77 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 68.3 p -77.98 -37.41 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.276 0.56 . . . . 0.0 109.854 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.457 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.6 t80 -60.14 -46.01 91.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.409 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.06 -38.76 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.614 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.48 69.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -68.58 -28.05 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.411 HD12 ' CE2' ' A' ' 552' ' ' PHE . 6.4 mt -95.8 -18.17 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.73 7.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.602 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 61.0 m -143.24 42.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -28.11 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.1 t -60.1 -22.35 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 74.4 m -75.3 -19.64 59.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.507 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.96 -38.86 53.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.409 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -52.46 -37.07 56.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.413 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.5 m-85 -70.9 -33.37 70.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CD2' ' CD1' ' A' ' 587' ' ' LEU . 49.2 m-85 -75.32 -48.81 21.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.1 p -61.66 -38.02 86.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.732 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.3 p -56.24 -21.72 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.408 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -13.65 15.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 111.409 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.32 14.88 15.19 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.6 OUTLIER -102.11 111.85 24.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.687 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 3.2 p -112.07 -33.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.7 p -99.02 150.55 21.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 549' ' ' ILE . 5.5 tt -72.47 -29.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 109.926 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.51 -35.92 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.34 -24.48 63.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 579' ' ' TYR . 30.9 pt -117.67 15.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.522 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -51.18 -25.69 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.253 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -119.07 30.26 7.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.69 142.83 42.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.426 0.631 . . . . 0.0 112.565 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.1 p -100.55 170.5 8.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.819 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.412 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 6.3 ttm -62.93 -28.1 69.83 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -51.61 38.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -59.46 -48.02 83.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.174 0.511 . . . . 0.0 110.186 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.81 -35.86 73.54 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.16 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.13 -32.27 61.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 8.4 t -61.08 -43.14 99.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.226 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -62.03 -19.64 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.954 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 ttmm 100.37 20.15 0.0 OUTLIER 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.9 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.8 mp -79.88 125.07 82.83 Favored Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.914 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 164.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.729 2.286 . . . . 0.0 113.028 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.5 OUTLIER -67.12 -29.14 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.8 -22.98 55.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.15 -42.66 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.435 ' HB3' HG23 ' A' ' 589' ' ' ILE . 8.2 ptp180 -56.78 -37.56 71.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . 0.412 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.9 OUTLIER -66.2 -50.22 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.08 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.115 0.483 . . . . 0.0 110.541 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.457 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 72.5 mt -59.01 -46.79 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.288 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -55.19 -43.84 74.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -58.3 -44.4 88.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.033 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.74 95.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.972 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 597' ' ' ILE . 37.1 mm -67.0 -41.49 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.74 -48.99 79.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.462 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.028 0.442 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.16 153.02 22.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.287 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.429 HD13 HG22 ' A' ' 549' ' ' ILE . 21.8 mm -64.28 -28.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.715 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.26 -49.81 79.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.4 m -78.16 -36.18 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.325 0.584 . . . . 0.0 109.911 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' A' ' 573' ' ' ILE . 1.5 t80 -61.5 -46.59 89.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.502 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.08 -39.58 63.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.93 -37.81 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -28.61 68.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.786 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.88 -18.14 21.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.61 47.24 5.19 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.07 44.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -31.16 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -62.98 -26.0 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -70.9 -19.87 62.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -38.74 53.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 111.478 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.44 -39.22 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 27.9 m-85 -66.52 -34.55 78.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.747 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 587' ' ' LEU . 44.0 m-85 -75.44 -48.23 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 p -58.94 -37.92 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -24.83 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.329 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -101.17 -13.98 17.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.11 3.92 38.71 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.03 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.553 HD12 HD12 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -86.72 111.9 21.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.953 0.377 . . . . 0.0 110.508 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 68.4 p -112.79 -27.73 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 5.1 p -107.15 150.62 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.277 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.462 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.0 tt -61.82 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.366 0.603 . . . . 0.0 109.502 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.35 -36.88 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.831 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -21.72 42.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 21.9 pt -123.57 15.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.462 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -50.59 -29.73 11.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.407 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -115.23 24.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.53 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.4 142.14 48.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 112.256 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 34.0 p -100.51 169.29 9.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.035 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.416 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 2.5 mtp -60.99 -29.89 69.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -53.35 31.12 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.254 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.87 -50.21 73.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.032 0.444 . . . . 0.0 109.997 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.93 -35.85 67.08 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.17 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -32.16 61.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 10.4 p -65.04 -34.42 78.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -69.05 -13.68 62.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.166 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 tmtt? 98.05 17.08 0.01 OUTLIER 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.89 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.476 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -83.04 120.52 76.17 Favored Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.391 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.99 160.81 9.54 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.84 2.36 . . . . 0.0 112.83 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -65.54 -30.69 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -17.14 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -113.67 -34.21 5.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 111.257 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 5.9 ptp180 -61.04 -33.28 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.99 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . 0.416 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.3 OUTLIER -63.95 -50.11 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.0 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.418 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 45.0 mt -59.73 -47.41 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.526 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.411 ' CD2' ' HE1' ' A' ' 581' ' ' MET . 11.4 t90 -57.86 -39.65 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.458 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -47.06 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.393 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.82 98.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.236 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 601' ' ' ILE . 28.4 mm -66.26 -36.19 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.73 -45.34 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.46 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.1 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.085 0.469 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 68.5 p -105.29 152.49 22.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.034 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.473 HD13 HG22 ' A' ' 549' ' ' ILE . 20.0 mm -63.95 -26.84 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . 0.41 ' N ' HD12 ' A' ' 562' ' ' LEU . 81.1 t -65.29 -49.82 76.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 37.3 t -78.18 -36.81 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.295 0.569 . . . . 0.0 109.806 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.1 t80 -60.02 -48.4 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.97 -38.64 64.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.27 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.409 ' CD1' ' CE2' ' A' ' 552' ' ' PHE . 2.6 mt -96.08 -18.25 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.46 47.65 5.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 14.0 m -146.53 41.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -28.68 69.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -25.34 67.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 64.3 m -71.59 -19.89 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.42 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 550' ' ' VAL . 0.2 OUTLIER -52.33 -37.72 56.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.481 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 110.716 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 25.2 m-85 -71.65 -33.7 69.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.448 ' CD2' HD11 ' A' ' 587' ' ' LEU . 48.5 m-85 -75.36 -48.75 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 p -61.44 -41.33 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 6.6 p -57.98 -18.94 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.332 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 5.0 tp-100 -106.91 -13.66 15.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.683 0.278 . . . . 0.0 111.456 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 21.5 9.65 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.934 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -110.27 112.64 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.654 0.264 . . . . 0.0 110.387 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.08 -27.9 6.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.869 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 15.8 p -102.18 150.3 23.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 111.493 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.46 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.7 tt -64.22 -36.0 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.353 178.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -59.38 -35.84 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.939 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -57.57 -22.2 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 31.9 pt -123.56 15.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.538 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -50.6 -31.25 15.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 111.342 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -116.72 27.38 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.08 143.31 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.39 0.614 . . . . 0.0 112.279 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.4 p -100.6 163.96 12.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.87 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.402 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 0.4 OUTLIER -56.92 -29.64 63.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -67.66 -52.65 35.45 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.381 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.89 -46.46 84.88 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.134 0.493 . . . . 0.0 110.207 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.92 -34.62 73.46 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.995 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.54 61.5 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.839 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -40.63 96.98 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.209 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.568 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -63.79 -17.15 62.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.056 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 100.11 19.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.175 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 584' ' ' LEU . 2.2 mp -83.71 119.84 74.28 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.082 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.2 166.35 4.43 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.85 2.367 . . . . 0.0 112.891 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.4 mp0 -64.63 -39.92 94.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -14.86 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.634 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.39 -50.22 2.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 3.8 ptm180 -54.93 -28.36 50.45 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . 0.402 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.0 OUTLIER -66.01 -50.16 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.667 0.27 . . . . 0.0 110.843 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.13 71.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.139 0.495 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 50.3 mt -60.04 -44.75 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.384 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CZ2' HD12 ' A' ' 602' ' ' LEU . 31.1 t90 -55.88 -46.4 78.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -58.97 -43.03 91.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.335 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.52 96.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.117 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 552' ' ' PHE . 35.3 mm -65.49 -39.48 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.419 HD12 ' CZ2' ' A' ' 598' ' ' TRP . 5.8 mt -61.54 -42.13 98.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.475 ' HB3' HG22 ' A' ' 573' ' ' ILE . 71.2 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.197 0.523 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 74.7 p -105.0 154.6 19.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.147 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.453 HD13 HG22 ' A' ' 549' ' ' ILE . 23.5 mm -63.51 -26.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.108 0.48 . . . . 0.0 109.874 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.26 -49.99 67.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.157 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 9.1 t -78.14 -32.5 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.97 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.7 t80 -64.77 -47.29 78.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.658 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.03 -39.39 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.591 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.37 74.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.78 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.2 -18.07 23.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 89.6 22.82 35.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.747 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.66 50.61 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -28.34 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 9.1 m -58.04 -22.08 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.43 -19.79 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.481 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -36.43 38.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.622 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -40.19 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.93 -33.27 75.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.454 ' CE1' ' CD1' ' A' ' 587' ' ' LEU . 48.4 m-85 -75.44 -48.28 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 p -58.88 -38.98 80.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 28.9 p -55.82 -23.79 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.384 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -103.23 -13.82 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 111.244 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.43 3.82 40.73 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.846 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 587' ' ' LEU . 0.4 OUTLIER -83.82 111.9 19.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.2 m -112.05 -28.38 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -109.46 152.91 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.475 HG22 ' HB3' ' A' ' 547' ' ' CYS . 6.7 tt -70.11 -34.98 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -53.59 -40.26 65.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.69 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.671 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 579' ' ' TYR . 22.2 pt -116.08 15.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.31 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.38 -32.47 11.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.651 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -116.27 29.79 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.96 143.52 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.368 0.604 . . . . 0.0 112.376 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.7 p -100.37 166.54 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.182 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.411 ' HE2' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -59.4 -29.8 67.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.82 -52.4 44.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.237 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.427 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 41.5 m-20 -58.68 -52.33 66.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -54.48 -35.36 63.0 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.657 0.742 . . . . 0.0 110.306 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.96 61.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.863 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.7 t -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.109 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -65.46 -16.57 63.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.917 178.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 2.9 ttmm 100.11 16.37 0.01 OUTLIER 'General case' 0 C--N 1.339 0.133 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.87 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.8 mp -81.62 124.18 80.09 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.21 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.65 164.61 2.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.004 2.469 . . . . 0.0 113.175 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.509 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -70.14 -32.78 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.57 -20.19 61.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -107.17 -39.3 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 111.403 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.509 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.2 ptp180 -54.88 -33.95 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.199 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.97 68.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.749 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.16 73.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.596 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.451 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 72.6 mt -59.83 -46.13 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.518 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CE2' HD12 ' A' ' 602' ' ' LEU . 12.5 t90 -58.34 -44.91 88.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.31 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.079 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.39 96.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.04 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.3 -52.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 598' ' ' TRP . 15.5 mt -60.26 -41.04 92.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 51.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.169 0.509 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.1 p -105.22 160.14 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.097 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 13.6 mm -66.0 -28.85 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 109.766 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.06 -49.59 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.8 p -78.18 -36.57 47.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.561 . . . . 0.0 110.034 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 548' ' ' SER . 4.8 t80 -61.21 -50.3 73.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.797 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 21.5 mt -73.69 -41.06 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.58 -36.56 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -28.46 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.21 -18.06 22.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.246 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.66 46.91 5.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.8 m -143.68 40.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 50.5 p -60.53 -30.34 69.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -26.59 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.3 m -73.21 -19.86 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.309 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.31 -37.24 46.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.537 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -52.47 -38.56 59.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.1 m-85 -67.59 -34.45 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 587' ' ' LEU . 47.4 m-85 -75.52 -48.48 22.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.6 -34.83 74.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -22.54 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.45 -13.79 15.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 109.13 3.83 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.588 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -85.31 111.81 20.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.65 -28.44 6.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.5 p -102.8 150.08 23.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.074 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.9 tt -62.9 -39.22 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 109.783 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.29 -35.93 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -57.92 -21.82 45.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.425 ' CG2' HD23 ' A' ' 570' ' ' LEU . 31.3 pt -122.66 15.31 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.471 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.06 -25.85 9.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.739 0.304 . . . . 0.0 111.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -117.19 25.66 10.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.219 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.56 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.72 140.8 48.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.454 0.645 . . . . 0.0 112.461 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 41.2 p -100.72 171.56 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.935 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -29.54 70.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -52.14 38.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.485 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.17 -48.56 79.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 110.239 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.5 OUTLIER -59.29 -35.0 72.96 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.289 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.33 61.71 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.992 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.101 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.47 -19.94 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 19.3 ttmt 98.1 23.13 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.911 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -80.83 125.99 78.84 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.37 145.54 78.04 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.636 2.224 . . . . 0.0 112.843 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 3.8 mt-10 -55.24 -23.39 22.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.36 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.16 -15.85 58.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.654 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.91 -46.54 3.11 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 589' ' ' ILE . 0.1 OUTLIER -55.0 -29.31 57.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.575 0.226 . . . . 0.0 111.281 -179.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -50.24 60.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.45 75.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 0.0 110.24 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 601' ' ' ILE . 25.6 mt -59.69 -45.81 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.098 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.42 ' CZ2' HD12 ' A' ' 602' ' ' LEU . 26.2 t90 -55.86 -45.61 78.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.07 83.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.182 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.86 -38.96 96.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.218 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 597' ' ' ILE . 35.0 mm -68.17 -37.96 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . 0.42 HD12 ' CZ2' ' A' ' 598' ' ' TRP . 3.3 mt -66.44 -48.86 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.028 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.473 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.045 0.45 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 64.8 p -105.31 154.82 19.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.314 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 549' ' ' ILE . 23.5 mm -64.5 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.672 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.08 -49.64 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -36.11 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.304 0.573 . . . . 0.0 109.785 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.453 ' CD1' HD13 ' A' ' 573' ' ' ILE . 1.2 t80 -62.06 -45.51 93.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.425 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.73 -40.98 69.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.12 70.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.7 -29.17 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.422 ' CD1' ' CE1' ' A' ' 552' ' ' PHE . 3.5 mt -98.43 -18.12 18.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.71 48.93 4.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.567 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 34.0 m -148.44 45.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 4.7 m -60.55 -29.58 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 8.2 m -62.83 -26.78 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -69.77 -19.82 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.415 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -37.58 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.598 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.46 -37.32 56.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 31.1 m-85 -68.79 -34.62 75.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.466 ' CD1' HD11 ' A' ' 587' ' ' LEU . 44.5 m-85 -75.68 -48.45 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.85 -36.12 78.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -22.15 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -106.46 -13.9 15.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.336 . . . . 0.0 111.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.64 3.77 32.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.868 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -84.8 111.87 20.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.523 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 69.1 p -115.35 -27.17 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.14 146.81 28.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.473 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 8.1 tt -60.84 -36.93 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 109.726 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.403 ' N ' HG21 ' A' ' 573' ' ' ILE . 34.1 m-85 -59.96 -33.9 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.24 44.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.418 ' HB ' ' CG ' ' A' ' 579' ' ' TYR . 27.7 pt -123.98 15.19 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.589 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -50.66 -26.57 5.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -118.81 29.45 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.536 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.82 140.96 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.376 0.608 . . . . 0.0 112.473 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.5 p -100.37 171.77 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.062 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' MET . . . . . 0.416 ' HE2' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -62.41 -29.04 70.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -51.21 42.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -59.58 -47.39 85.76 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 110.142 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.11 -35.93 74.28 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.132 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.37 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.945 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 34.5 t -61.74 -42.0 98.39 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.9 -18.67 63.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.906 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.1 tttm 97.73 21.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.812 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.484 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.5 mp -78.93 125.79 83.33 Favored Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.317 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.54 159.69 6.13 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.792 2.328 . . . . 0.0 113.009 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.0 tt0 -67.62 -28.78 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -18.43 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.471 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.18 -34.94 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 111.327 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.48 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.9 ptp180 -54.88 -38.98 68.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.334 . . . . 0.0 111.085 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -50.07 66.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -59.5 -52.02 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.099 0.476 . . . . 0.0 110.597 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.78 -49.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.263 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.416 ' CE3' ' HE2' ' A' ' 581' ' ' MET . 20.9 t90 -55.8 -41.35 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.368 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -59.71 -43.19 94.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.28 -42.19 99.71 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.12 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 552' ' ' PHE . 37.0 mm -63.27 -42.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.97 -44.26 77.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.45 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 8.9 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.15 0.5 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.5 p -105.38 154.34 20.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.112 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.436 HD13 HG22 ' A' ' 549' ' ' ILE . 21.2 mm -63.67 -28.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.77 -49.81 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.1 m -78.12 -36.59 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' PHE . . . . . 0.453 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 2.3 t80 -60.69 -46.76 89.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.429 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.98 -39.35 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.47 -37.16 67.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -30.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.709 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' A' ' 552' ' ' PHE . 8.1 mt -92.08 -18.15 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.82 41.83 7.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.0 m -141.2 45.89 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 34.2 t -59.86 -30.17 68.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.7 t -62.78 -27.81 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' CYS . . . . . 0.409 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 3.3 m -67.2 -19.9 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.366 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -36.48 63.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.655 0.264 . . . . 0.0 111.374 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.47 -36.51 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 35.5 m-85 -70.55 -33.98 71.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.817 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 587' ' ' LEU . 52.0 m-85 -75.27 -48.57 22.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.4 p -60.01 -42.82 95.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 27.5 p -58.1 -20.02 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' GLN . . . . . 0.408 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -105.0 -13.6 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.64 0.257 . . . . 0.0 111.408 -179.78 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.22 28.13 6.6 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.851 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.5 mp -117.8 113.44 21.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.1 p -118.54 -24.91 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.854 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.88 148.33 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.416 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' ILE . . . . . 0.45 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.8 tt -64.33 -38.39 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 109.658 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -55.63 -37.14 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.779 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.19 45.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' ILE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 579' ' ' TYR . 30.2 pt -123.98 15.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.649 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -50.16 -30.41 11.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -119.76 29.92 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' TYR . . . . . 0.481 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.4 144.45 46.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 112.409 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.56 165.79 11.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.999 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -30.03 68.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.95 -52.95 36.65 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 40.0 m-20 -57.49 -50.27 73.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.062 0.458 . . . . 0.0 110.187 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -56.19 -35.91 67.8 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.111 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.01 61.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.005 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -36.22 83.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.223 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.541 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.7 OUTLIER -68.7 -12.43 61.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.261 178.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 1.3 tptt 97.0 17.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.157 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' ILE . . . . . 0.484 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.9 mp -81.75 124.89 79.18 Favored Pre-proline 0 CA--C 1.531 0.242 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.022 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.01 166.68 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.838 2.358 . . . . 0.0 113.128 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 11.2 tt0 -72.65 -27.47 62.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.193 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -77.85 -23.52 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.57 -41.45 6.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.7 ptp180 -55.56 -32.39 62.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -50.08 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.43 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.204 0.526 . . . . 0.0 110.474 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' ILE . . . . . 0.453 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 65.7 mt -59.77 -48.26 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.94 -42.13 75.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -44.88 92.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.56 97.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.14 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' ILE . . . . . 0.434 HD11 HG22 ' A' ' 601' ' ' ILE . 33.2 mm -66.81 -46.55 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.92 -42.96 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.622 -0.191 . . . . 0.0 112.622 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 46.2 m 60.43 80.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 60.96 156.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.29 142.21 45.04 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.87 175.8 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -78.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.441 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 63.1 m -97.15 122.49 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 p -105.28 155.53 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.271 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 549' ' ' ILE . 20.1 mm -64.11 -27.86 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.58 -49.66 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -77.87 -36.21 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.345 0.593 . . . . 0.0 109.801 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.448 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.8 t80 -61.36 -45.98 92.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.412 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 30.6 mt -74.06 -38.5 63.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.56 -39.65 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.781 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -65.03 -29.34 70.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.728 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.55 -18.24 22.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.94 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 82.1 m -151.17 45.07 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.5 m -61.18 -27.22 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -62.78 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.215 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.62 -19.76 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.411 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.97 -37.91 47.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 111.534 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.47 -37.07 56.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.402 ' CD2' ' HD2' ' A' ' 588' ' ' LYS . 37.8 m-85 -70.48 -33.72 71.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' A' ' 587' ' ' LEU . 44.5 m-85 -75.38 -48.83 21.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.5 p -60.98 -39.52 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -55.72 -20.82 15.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.551 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.527 ' HB3' HD13 ' A' ' 570' ' ' LEU . 2.7 tp-100 -109.35 -13.7 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.412 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 107.9 28.21 4.83 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.622 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 568' ' ' GLN . 1.0 OUTLIER -118.48 114.92 23.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.022 0.411 . . . . 0.0 110.767 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 4.6 p -118.52 -22.05 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.559 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.6 p -108.94 147.86 31.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.726 0.298 . . . . 0.0 111.321 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.441 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 8.0 tt -62.4 -38.68 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.329 0.585 . . . . 0.0 109.83 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -56.69 -36.67 69.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -22.12 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.472 HG22 HD11 ' A' ' 576' ' ' ILE . 28.6 pt -123.98 15.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.426 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -49.86 -28.75 6.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.506 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -118.62 29.04 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.185 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.511 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.25 143.75 42.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.464 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 48.0 p -100.37 165.64 11.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.017 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.417 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 6.3 ttm -59.49 -28.71 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -52.19 36.0 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.431 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.405 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 38.3 m-20 -58.32 -46.89 85.32 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.033 0.444 . . . . 0.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.01 -36.54 75.1 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.161 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.038 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 t -62.41 -40.26 95.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -63.84 -17.59 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.287 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 5.6 ttmt 101.16 17.28 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.925 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.476 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -79.82 124.21 83.46 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.087 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.84 161.6 4.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.797 2.331 . . . . 0.0 113.028 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.455 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.3 tp10 -67.83 -31.6 71.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -71.75 -20.83 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -107.39 -40.02 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.286 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.6 ptp180 -55.37 -36.53 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . 0.417 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 1.5 t-160 -66.17 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.94 -51.77 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.369 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.448 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 68.3 mt -59.1 -47.8 88.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.349 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -56.54 -41.0 76.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -59.76 -44.35 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.123 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.96 -41.4 99.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.147 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.461 HD11 HG22 ' A' ' 601' ' ' ILE . 36.0 mm -64.49 -43.33 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.22 -44.49 95.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.65 -31.69 68.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -75.44 -30.46 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -73.81 -31.31 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -33.05 74.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.12 -36.01 76.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -82.01 -31.27 31.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -139.69 107.55 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -83.89 168.94 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.92 140.58 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 9.2 t -159.37 137.05 7.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.63 125.87 9.19 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.552 2.168 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 615' ' ' HIS . 12.8 m 59.2 82.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 614' ' ' SER . 5.9 m-70 -157.29 -64.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.93 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.85 -179.46 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -157.29 163.07 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 32.1 p -104.61 89.78 2.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.84 158.4 58.02 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 4.9 m -127.58 78.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.935 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.3 m -158.63 131.28 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . 0.488 ' N ' ' HD2' ' A' ' 544' ' ' PRO . 13.5 m-85 -72.75 -49.03 8.33 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 543' ' ' TYR . 73.1 Cg_endo -75.91 113.99 3.83 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.224 1.949 . . . . 0.0 112.379 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.79 179.79 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.748 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.94 135.51 53.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.461 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.3 m -82.21 138.57 34.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 0.0 110.753 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.26 152.19 23.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.264 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 14.0 mm -63.79 -26.92 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.56 -49.69 79.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.07 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.235 0.54 . . . . 0.0 109.777 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' A' ' 573' ' ' ILE . 1.0 OUTLIER -61.85 -45.45 93.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.363 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.11 -39.31 63.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.99 71.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.19 -28.73 69.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.52 -18.15 19.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.17 48.42 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 97.3 m -148.41 44.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -27.69 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -23.31 66.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.6 m -72.11 -19.87 61.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -37.6 57.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.51 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.41 -36.62 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.007 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.1 m-85 -70.82 -33.94 71.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 587' ' ' LEU . 46.3 m-85 -75.39 -48.77 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.977 0.418 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.5 p -60.7 -41.01 94.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 3.0 p -57.89 -19.64 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.327 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.418 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.22 -13.6 15.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.669 0.271 . . . . 0.0 111.461 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.29 28.03 6.26 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.772 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.518 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.2 mp -119.19 114.07 21.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.0 p -117.05 -28.32 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.72 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 13.9 p -99.62 151.65 20.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 111.385 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.461 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -66.59 -37.29 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.343 0.592 . . . . 0.0 109.493 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -21.98 42.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 33.6 pt -123.57 15.27 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.36 -27.77 6.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.31 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.25 29.21 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.19 141.55 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.459 0.647 . . . . 0.0 112.501 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.9 p -100.51 170.04 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.948 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -28.32 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -50.73 48.46 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.392 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.76 -49.96 75.38 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.64 -34.51 69.41 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.936 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.29 -33.13 61.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.32 83.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.98 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 565' ' ' PHE . 0.2 OUTLIER -70.85 -8.88 55.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.041 178.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.2 OUTLIER 85.31 24.87 0.08 Allowed 'General case' 0 C--N 1.338 0.09 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.21 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.4 mp -81.11 129.84 65.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.176 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.25 153.9 15.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.899 2.399 . . . . 0.0 113.173 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -67.19 -28.16 67.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -74.43 -24.91 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.44 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.76 -36.11 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.295 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.48 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.1 ptp180 -54.72 -37.69 66.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.991 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -50.01 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.665 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.39 -52.07 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.43 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 66.9 mt -60.18 -48.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -55.78 -41.78 74.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -59.23 -45.65 90.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.214 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.68 95.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.067 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.435 HD13 ' CE2' ' A' ' 552' ' ' PHE . 30.3 mm -65.99 -38.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.62 -42.04 87.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.21 -38.21 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.068 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -64.39 -33.75 76.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.52 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -77.5 -29.37 52.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 27.5 mt -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.29 -31.45 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -115.04 75.71 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -115.08 -38.6 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 3.4 m -168.72 35.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 37.0 m -137.25 92.4 13.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.19 174.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 33.5 t 60.92 168.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 -169.08 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.5 tp -101.86 -34.8 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.63 108.81 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -76.53 99.06 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 75.4 p -138.8 103.53 7.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.92 136.63 38.91 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.37 2.047 . . . . 0.0 112.253 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.8 t 61.72 30.86 18.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.119 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.9 m -99.95 73.73 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . 0.414 ' N ' ' HD2' ' A' ' 544' ' ' PRO . 1.7 m-85 -70.54 -61.12 2.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 543' ' ' TYR . 40.7 Cg_endo -67.49 139.2 48.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.425 2.084 . . . . 0.0 112.347 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.99 161.39 36.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.07 -175.92 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.578 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 1.8 t -65.62 111.55 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 55.1 p -104.82 158.23 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.349 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 5.3 mm -65.59 -28.97 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.22 -49.71 79.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -35.21 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.239 0.542 . . . . 0.0 110.008 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.45 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.8 t80 -62.4 -45.64 92.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.504 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.06 -41.6 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.674 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.14 -37.23 69.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -64.22 -29.82 70.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 552' ' ' PHE . 4.3 mt -97.95 -18.09 18.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 87.34 47.24 4.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 53.2 m -143.76 42.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 2.6 m -61.26 -29.27 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.38 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.1 m -70.65 -19.77 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -37.03 40.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -52.54 -36.5 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.7 m-85 -70.6 -33.92 71.59 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.915 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 587' ' ' LEU . 47.5 m-85 -75.29 -48.84 21.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.41 -37.51 83.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -21.61 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.45 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.439 ' HB3' HD13 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -108.05 -13.53 14.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.63 0.253 . . . . 0.0 111.363 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.72 10.5 24.81 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.477 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -93.97 111.97 23.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.033 0.416 . . . . 0.0 110.691 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 50.9 p -110.04 -38.11 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.2 p -96.53 153.7 17.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.574 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.578 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 5.3 tt -78.49 -26.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.82 -39.72 78.29 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.922 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.51 -28.44 65.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.422 ' HA ' ' CD2' ' A' ' 579' ' ' TYR . 20.1 pt -111.42 15.05 8.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.213 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.71 -29.09 24.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -116.69 26.76 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -71.3 141.65 50.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.347 0.594 . . . . 0.0 112.28 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.0 p -100.55 166.91 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.049 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -30.42 67.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -67.39 -52.09 44.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.403 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -58.45 -47.84 82.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.46 -35.1 71.64 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.702 0.763 . . . . 0.0 109.992 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.21 -31.85 61.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.762 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.7 t -64.14 -36.77 85.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.098 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -67.89 -13.03 61.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.826 178.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 94.1 19.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.115 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.489 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.8 mp -80.65 123.99 82.22 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.791 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 149.91 39.98 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.768 2.312 . . . . 0.0 113.047 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.5 tt0 -56.92 -32.32 65.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.09 -15.63 62.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.415 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -112.61 -48.54 3.0 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.451 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 0.1 OUTLIER -55.68 -26.21 43.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.57 0.224 . . . . 0.0 111.353 -179.304 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -50.25 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.32 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.0 110.312 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.45 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 51.5 mt -60.68 -43.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.213 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.424 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.7 t90 -58.71 -45.71 88.93 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.046 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -55.8 -43.5 76.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.24 97.98 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.746 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . . . . . . . . . 19.4 mt -61.7 -41.36 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.336 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.04 -42.99 95.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -55.05 -34.7 63.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -77.96 -35.02 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -59.42 -40.13 85.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.2 -30.53 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.49 -41.07 88.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -39.25 42.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 60.13 106.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -91.92 174.05 7.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.5 m -124.5 31.04 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 40.7 t -132.99 81.38 57.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.98 142.31 46.65 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 73.1 p -118.62 158.09 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.18 75.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 13.5 mt -128.8 138.95 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.5 mt -151.53 -46.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -89.01 123.76 33.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' THR . . . . . 0.4 ' N ' ' CD ' ' A' ' 620' ' ' PRO . 4.9 m 61.0 54.36 3.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 619' ' ' THR . 55.9 Cg_endo -70.31 151.97 66.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.503 2.135 . . . . 0.0 112.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 16.0 t -73.35 -35.21 65.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 4.9 m -109.37 137.09 47.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.56 151.76 57.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.32 144.48 62.26 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.541 2.16 . . . . 0.0 112.117 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.75 -84.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . 0.41 ' OD1' ' CE1' ' A' ' 574' ' ' TYR . 1.9 m-20 -146.23 164.76 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.447 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 4.1 m -85.79 133.98 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 55.1 p -105.29 153.55 21.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.34 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.451 HD13 HG22 ' A' ' 549' ' ' ILE . 20.7 mm -64.36 -28.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.2 -49.79 81.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 p -78.23 -35.46 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.247 0.546 . . . . 0.0 110.178 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.446 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.1 t80 -61.6 -49.67 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.592 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.15 -41.04 64.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.94 -35.58 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -28.44 64.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 70.1 mt -92.62 -18.16 23.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.233 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.77 44.08 5.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.567 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 99.3 m -147.05 43.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 56.0 p -61.26 -28.52 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 87.4 p -62.05 -25.83 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -71.07 -19.99 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.488 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.58 -35.68 54.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.9 m-85 -70.48 -35.02 73.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 587' ' ' LEU . 53.3 m-85 -75.31 -48.62 22.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 p -59.33 -44.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 30.9 p -57.7 -19.86 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.485 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -103.66 -13.59 16.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.663 0.268 . . . . 0.0 111.522 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.42 3.98 37.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.984 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.519 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -94.37 115.98 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.4 p -119.86 -24.09 6.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.9 p -107.15 149.39 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.349 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.447 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -64.42 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.41 ' CE1' ' OD1' ' A' ' 546' ' ' ASP . 26.2 m-85 -56.93 -36.18 69.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.755 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -57.83 -21.86 44.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 27.3 pt -121.62 15.54 5.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.556 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.22 -26.02 16.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 111.202 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -117.79 25.07 10.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.519 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.8 142.53 44.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.418 0.627 . . . . 0.0 112.472 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 27.5 p -100.55 165.81 11.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.845 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.421 ' HE2' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -58.33 -29.85 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.86 -51.15 51.54 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.298 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -59.09 -44.78 91.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 110.328 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 565' ' ' PHE . 0.4 OUTLIER -61.0 -35.7 77.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.647 0.736 . . . . 0.0 109.782 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.37 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.837 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.12 98.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.068 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.578 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.4 OUTLIER -61.86 -19.79 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.883 178.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 15.2 tttm 100.39 20.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.917 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.426 HD12 HD22 ' A' ' 584' ' ' LEU . 1.6 mp -78.94 127.12 80.82 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.325 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.32 160.95 4.23 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.84 2.36 . . . . 0.0 112.949 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.2 OUTLIER -72.2 -25.61 61.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.83 -16.63 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -113.57 -34.14 5.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.2 ptp180 -54.88 -38.37 67.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.218 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -50.07 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.44 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 41.0 mt -60.11 -49.46 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.421 ' CE3' ' HE2' ' A' ' 581' ' ' MET . 12.3 t90 -55.01 -41.84 71.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.81 -44.96 93.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.24 -40.3 97.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.178 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.443 HD13 ' CE1' ' A' ' 552' ' ' PHE . 38.3 mm -65.14 -46.55 90.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.05 -35.55 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.84 -31.63 72.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -61.95 -33.18 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -29.87 58.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 -26.58 62.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.037 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.2 mt -57.51 -31.98 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -84.86 -31.81 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -142.24 90.47 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -105.62 169.77 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 21.9 t -95.06 -28.61 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 11.8 t 60.71 87.84 0.13 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.78 109.39 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.568 2.178 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.16 120.64 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -55.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.89 116.73 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.86 -54.7 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 44.43 36.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.524 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' THR . . . . . 0.417 ' N ' ' CD ' ' A' ' 620' ' ' PRO . 0.3 OUTLIER -87.26 -51.69 0.42 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 619' ' ' THR . 27.8 Cg_exo -61.91 -52.54 2.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.473 2.115 . . . . 0.0 112.135 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -116.46 179.32 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 103.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.88 160.84 37.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.38 132.02 33.52 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.565 2.177 . . . . 0.0 112.281 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.67 -33.48 47.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -106.6 152.87 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.451 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.8 m -97.11 137.07 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 78.8 p -105.41 154.02 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.62 -27.16 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 109.711 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.33 -49.58 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -35.24 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.158 0.504 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.1 t80 -62.04 -50.97 69.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.346 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 38.4 mt -71.3 -38.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.25 72.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -28.84 70.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.829 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.35 -18.23 21.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.97 30.85 24.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.695 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.9 p -133.65 41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 p -56.84 -22.56 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 32.5 m -74.64 -19.61 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.549 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -37.69 43.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.569 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.56 -37.39 57.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.555 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 33.4 m-85 -70.68 -33.27 70.74 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' A' ' 587' ' ' LEU . 45.4 m-85 -75.15 -48.75 22.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.4 p -60.57 -40.98 93.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.45 -20.98 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.374 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.94 -13.62 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.46 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.58 6.36 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.822 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -114.6 112.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 7.8 m -118.64 -27.59 5.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.839 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 4.9 p -101.59 146.89 27.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.311 . . . . 0.0 111.425 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.451 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -62.21 -36.97 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.314 0.578 . . . . 0.0 109.667 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.09 -35.58 71.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.914 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -22.09 42.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.482 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 30.4 pt -124.01 15.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.613 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -50.26 -31.13 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -118.49 27.76 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.177 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.01 144.54 48.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 0.0 112.302 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.65 162.34 12.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.912 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.406 ' CG ' ' NH2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -55.88 -31.1 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.92 -53.19 34.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.552 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -56.62 -47.57 79.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.042 0.449 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.93 -35.81 73.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.96 -32.44 61.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.986 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.1 t -63.3 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.312 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.579 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -65.21 -16.15 63.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.179 179.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 41.6 tttt 101.53 17.2 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.25 0.62 . . . . 0.0 112.084 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 584' ' ' LEU . 2.4 mp -84.01 122.88 76.09 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 120.071 -0.651 . . . . 0.0 110.043 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 163.73 10.67 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.678 2.252 . . . . 0.0 112.73 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 36.9 tt0 -64.07 -35.72 81.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -67.2 -14.83 63.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.419 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -113.71 -50.22 2.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 0.1 OUTLIER -55.78 -31.71 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.514 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.55 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.114 0.483 . . . . 0.0 110.567 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 53.9 mt -59.14 -43.13 88.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.326 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 25.1 t90 -58.1 -44.84 87.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.269 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -43.04 86.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.146 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.2 -41.9 98.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.959 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.447 HD11 HG22 ' A' ' 601' ' ' ILE . 31.2 mm -65.57 -44.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.47 -45.88 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -56.3 -36.13 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.046 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -56.27 -32.35 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -81.11 -28.02 35.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 -52.1 11.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.157 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.7 pp -57.21 -22.04 38.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.361 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -73.92 -42.04 61.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 55.03 73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.002 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.14 106.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.39 37.84 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 54.5 p -75.31 141.4 73.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -62.11 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.456 2.104 . . . . 0.0 112.269 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 59.1 p -168.81 -169.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -101.63 99.82 10.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 17.0 tp -135.27 32.75 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 3.9 mp -142.78 85.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.09 96.61 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 45.2 p -134.33 84.34 41.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -45.72 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.594 2.196 . . . . 0.0 112.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.62 35.93 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.864 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 6.3 t -85.99 162.25 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -111.96 155.29 43.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 545' ' ' THR . 25.1 Cg_endo -61.62 123.77 13.33 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.621 2.214 . . . . 0.0 112.178 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 544' ' ' PRO . 1.0 OUTLIER 84.07 -19.05 0.39 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.509 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 58.2 164.7 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.861 0.363 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.445 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 11.8 m -94.58 129.95 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 59.6 p -105.08 154.46 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.194 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 549' ' ' ILE . 17.9 mm -64.69 -27.54 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . 0.425 ' HA ' HD11 ' A' ' 562' ' ' LEU . 67.6 t -65.0 -49.75 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 99.6 p -77.2 -37.54 53.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.351 0.596 . . . . 0.0 109.643 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 2.2 t80 -60.12 -45.96 91.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.399 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 562' ' ' LEU . 27.7 mt -72.83 -39.14 66.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -54.9 -38.69 67.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -30.41 71.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.642 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' A' ' 552' ' ' PHE . 4.9 mt -91.4 -18.14 24.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.46 41.45 6.91 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 66.6 m -151.15 48.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 65.3 m -60.54 -28.96 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 62.6 p -59.6 -27.03 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.105 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.3 m -61.0 -19.9 61.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.357 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -53.47 -38.52 63.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.513 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -52.35 -35.94 52.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 32.6 m-85 -71.32 -34.23 70.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.452 ' CD2' HD11 ' A' ' 587' ' ' LEU . 46.7 m-85 -75.17 -48.7 22.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.1 p -60.69 -41.41 95.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 16.5 p -57.18 -20.29 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 7.9 tp-100 -106.53 -13.68 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.511 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 104.83 27.96 5.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.684 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.3 mp -120.14 119.59 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.81 -24.0 4.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.855 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.4 p -106.6 149.16 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.303 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.445 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.1 tt -65.74 -40.2 87.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.166 0.507 . . . . 0.0 109.876 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.93 -38.48 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.97 -21.89 46.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 23.2 pt -122.82 15.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.505 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.31 -26.61 12.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.219 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . 0.421 ' CD2' ' HD2' ' A' ' 605' ' ' ARG . 0.2 OUTLIER -117.76 26.28 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.75 143.66 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.431 0.634 . . . . 0.0 112.33 -179.61 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.6 p -100.5 165.95 11.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.98 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.1 mtp -59.16 -29.47 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -67.26 -52.5 40.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.287 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -57.68 -50.45 73.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.124 0.488 . . . . 0.0 110.12 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.63 -36.32 66.87 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.151 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.29 61.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.963 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 m -65.83 -32.78 74.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.195 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -72.23 -9.75 58.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 95.99 14.9 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.162 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.467 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.9 mp -81.62 119.89 76.59 Favored Pre-proline 0 CA--C 1.53 0.208 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.316 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.6 166.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.853 2.369 . . . . 0.0 112.772 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.446 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.1 tt0 -66.29 -44.45 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.175 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.09 -19.62 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.417 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.78 -43.34 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.661 0.267 . . . . 0.0 111.405 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.0 ptp180 -56.56 -33.84 66.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -50.04 72.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.72 65.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.441 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 67.2 mt -58.85 -43.37 88.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.564 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.405 ' CE2' HD13 ' A' ' 602' ' ' LEU . 16.8 t90 -59.67 -45.51 91.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -42.49 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.477 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.24 94.72 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.207 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.446 HG22 HD11 ' A' ' 601' ' ' ILE . 34.1 mm -63.97 -33.09 59.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 598' ' ' TRP . 16.0 mt -67.23 -45.42 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.99 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -39.43 78.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.94 -29.68 70.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' A' ' 578' ' ' HIS . 6.6 ttp180 -66.16 -29.36 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -30.99 65.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.5 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -100.26 -25.08 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.36 129.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -99.15 156.98 16.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.58 -0.66 56.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.2 m 62.84 81.15 0.23 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.75 78.77 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.578 2.185 . . . . 0.0 112.354 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.89 -31.63 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.13 134.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.94 38.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 8.9 tt -161.0 102.12 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -164.33 91.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 11.2 p -144.87 56.78 3.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.27 136.79 32.5 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.498 2.132 . . . . 0.0 112.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.2 t -149.33 148.61 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.938 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.8 p -116.96 104.19 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 61.5 154.42 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.02 135.58 30.18 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.587 2.191 . . . . 0.0 112.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 4.5 m -107.53 -35.5 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.86 160.81 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.429 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 44.6 m -85.21 126.95 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 85.6 p -105.22 154.12 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.065 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 4.2 mm -65.27 -26.0 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 562' ' ' LEU . 95.0 t -65.89 -49.64 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.91 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 m -77.78 -36.09 50.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.529 . . . . 0.0 109.806 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.449 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.4 t80 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.332 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.84 -41.36 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.97 -37.59 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.94 -28.97 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.894 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.445 ' CD1' ' CE2' ' A' ' 552' ' ' PHE . 2.3 mt -95.12 -18.13 21.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.19 44.86 6.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 23.3 m -147.46 41.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -27.06 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -23.81 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 56.7 m -73.2 -19.87 61.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.436 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 550' ' ' VAL . 0.2 OUTLIER -50.87 -37.48 43.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.657 0.265 . . . . 0.0 111.519 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.56 -36.35 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.925 0.393 . . . . 0.0 110.641 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 27.6 m-85 -72.16 -33.16 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.864 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 587' ' ' LEU . 48.5 m-85 -75.25 -48.8 21.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.945 0.402 . . . . 0.0 110.743 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.4 p -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.815 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 5.5 p -58.1 -19.42 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.201 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 10.0 tp-100 -106.5 -13.64 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.11 6.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.644 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.513 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.3 mp -118.6 116.88 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.783 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 6.6 m -122.52 -28.43 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.626 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.3 p -101.09 145.58 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.429 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.9 tt -63.59 -39.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 109.921 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -55.61 -37.49 68.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.71 -23.32 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 43.1 pt -120.9 15.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.451 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 578' ' ' HIS . 2.6 tt0 -51.86 -26.45 10.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.756 0.312 . . . . 0.0 111.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 577' ' ' GLU . 5.5 m-70 -119.38 27.55 8.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.513 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.89 142.89 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.382 0.61 . . . . 0.0 112.32 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.8 p -100.48 167.98 10.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.993 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -29.87 69.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.04 -51.94 41.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.258 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -58.54 -47.85 82.84 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.062 0.458 . . . . 0.0 110.212 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.93 -34.11 72.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.15 -33.81 61.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.924 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -41.41 97.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.193 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.66 -18.83 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.166 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 22.8 tttp 101.22 19.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.273 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 587' ' ' LEU . 2.6 mp -85.65 116.16 64.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.27 152.12 55.37 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.984 2.456 . . . . 0.0 113.157 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 9.1 tt0 -50.65 -36.55 36.04 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.274 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -15.05 60.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -119.51 -47.09 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.443 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 0.3 OUTLIER -57.13 -31.54 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.565 0.221 . . . . 0.0 111.35 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -50.11 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.592 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.46 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.055 0.455 . . . . 0.0 110.431 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.449 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 70.3 mt -58.69 -45.17 91.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.282 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.423 ' CE2' HD13 ' A' ' 602' ' ' LEU . 21.5 t90 -57.27 -42.48 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -59.29 -44.15 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.217 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.41 -41.11 98.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.096 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 601' ' ' ILE . 33.7 mm -66.3 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.791 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.423 HD13 ' CE2' ' A' ' 598' ' ' TRP . 16.6 mt -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.2 -37.55 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.25 -35.12 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -71.51 -31.54 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -64.24 -33.62 76.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -33.78 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -31.32 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.44 93.44 4.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -63.0 167.14 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.2 m -107.42 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.51 108.12 1.21 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.99 -19.5 26.32 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.469 2.113 . . . . 0.0 112.545 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.33 -67.73 0.25 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 111.279 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -135.71 177.19 8.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 150.45 24.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.735 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.7 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.58 18.84 15.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 19.5 p 48.3 79.67 0.33 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.211 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.94 -51.65 10.69 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.52 144.27 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.8 m -107.4 133.89 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -72.07 154.14 92.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.1 150.12 71.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.549 2.166 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.44 122.66 29.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 60.38 179.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.473 ' HB3' HG22 ' A' ' 573' ' ' ILE . 80.7 m -64.57 116.22 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.7 p -105.4 157.94 16.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.457 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 12.2 mm -65.65 -27.52 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.15 -49.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 29.5 t -77.17 -38.11 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.438 ' CD2' HD13 ' A' ' 573' ' ' ILE . 0.7 OUTLIER -59.87 -45.83 91.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.418 179.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 24.4 mt -74.05 -37.92 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.646 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.82 71.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 26.4 ttm105 -67.23 -27.12 66.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 4.2 mt -99.19 -18.08 17.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 83.45 46.89 5.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.68 43.38 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -62.25 -28.39 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.0 t -60.23 -22.37 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.9 m -75.73 -19.98 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -38.1 54.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.58 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.3 -36.67 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.98 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.409 ' CB ' HG13 ' A' ' 589' ' ' ILE . 56.9 m-85 -71.0 -33.88 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.435 ' CD1' HD11 ' A' ' 587' ' ' LEU . 54.8 m-85 -75.34 -48.52 22.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.5 p -60.45 -40.67 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 12.6 p -57.56 -21.33 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -13.56 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.372 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.0 6.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.611 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.3 mp -115.53 111.97 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.732 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 -24.28 6.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.654 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.6 p -102.67 144.18 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.297 . . . . 0.0 111.281 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 547' ' ' CYS . 6.7 tt -65.85 -38.31 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.153 0.502 . . . . 0.0 110.072 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.51 -36.08 68.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.552 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -26.46 62.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 26.0 pt -116.31 15.19 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -51.73 -26.59 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.71 0.291 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . 0.412 ' CE1' ' HD2' ' A' ' 605' ' ' ARG . 2.1 m-70 -121.16 27.09 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -70.26 139.96 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.446 0.641 . . . . 0.0 112.283 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.6 p -100.6 170.07 8.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.156 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.09 -27.72 69.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.54 -49.51 53.73 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.429 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.44 -49.37 75.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.24 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.8 -35.9 71.48 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.643 0.735 . . . . 0.0 109.853 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.31 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.976 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.07 95.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.457 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -65.2 -15.2 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 87.96 26.75 0.03 OUTLIER 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.813 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 587' ' ' LEU . 1.3 mp -75.35 127.73 85.7 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.233 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.86 151.47 20.02 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.803 2.335 . . . . 0.0 112.656 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 594' ' ' ARG . 76.2 mt-10 -67.21 -29.72 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -64.03 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.279 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -105.55 -24.45 12.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' A' ' 591' ' ' GLU . 27.1 ttm180 -54.91 -53.99 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.51 95.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.42 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.436 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 39.1 mt -62.03 -46.43 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.313 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.411 ' CE2' HD13 ' A' ' 602' ' ' LEU . 23.7 t90 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.149 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -59.95 -43.25 95.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.933 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.5 -40.74 98.15 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.882 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 601' ' ' ILE . 39.1 mm -66.53 -37.43 79.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.396 . . . . 0.0 110.75 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 598' ' ' TRP . 13.8 mt -64.56 -49.15 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.45 -35.03 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -75.92 -30.91 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . 0.412 ' HD2' ' CE1' ' A' ' 578' ' ' HIS . 12.5 ttp85 -76.77 -39.09 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -59.96 -33.7 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.88 -31.48 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.69 86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 60.29 99.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 32.19 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.8 t -158.38 93.52 2.0 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.77 146.2 71.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.383 2.055 . . . . 0.0 112.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 78.4 p -94.52 74.96 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -177.73 65.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.38 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -37.87 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -176.68 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 26.5 p -98.47 106.48 36.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.94 -27.36 36.81 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.435 2.09 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.66 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.85 -51.96 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -123.51 154.22 66.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 113.97 3.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.581 2.187 . . . . 0.0 112.331 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.6 m -61.32 -58.62 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.762 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . 0.402 ' OD1' ' CE2' ' A' ' 574' ' ' TYR . 38.7 m-20 60.61 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.484 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 43.4 t -97.04 132.74 42.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.7 p -105.4 156.76 17.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 14.0 mm -65.07 -27.93 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.54 -49.93 78.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.6 t -77.53 -37.39 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.437 ' CD1' HG13 ' A' ' 573' ' ' ILE . 1.4 t80 -60.38 -46.12 91.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.379 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 23.9 mt -71.29 -42.91 68.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.1 -34.61 63.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.679 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -71.45 -30.53 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 552' ' ' PHE . 55.8 mt -92.05 -18.04 24.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.47 44.74 5.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 71.7 m -151.18 47.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 45.2 t -60.87 -28.85 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 3.1 m -62.85 -26.78 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 5.4 m -64.7 -19.78 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.377 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.6 -37.5 63.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.635 0.255 . . . . 0.0 111.336 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.45 -35.47 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.752 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 29.5 m-85 -71.96 -34.36 68.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 587' ' ' LEU . 48.6 m-85 -75.22 -48.75 21.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 18.3 p -60.87 -41.66 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.71 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 9.2 p -57.96 -20.06 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.305 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.4 ' HB3' HD13 ' A' ' 570' ' ' LEU . 7.5 tp-100 -105.5 -13.62 15.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 28.06 6.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.61 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.493 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.7 mp -120.7 119.25 32.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.707 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 74.0 p -120.53 -29.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.682 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.8 p -101.65 154.7 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.8 tt -69.83 -39.5 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.402 ' CE2' ' OD1' ' A' ' 546' ' ' ASP . 25.4 m-85 -54.06 -38.61 65.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.999 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -22.33 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 48.4 pt -120.62 15.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.59 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -51.28 -27.6 9.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.72 0.295 . . . . 0.0 111.273 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.48 28.81 7.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.493 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.27 143.04 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.325 0.583 . . . . 0.0 112.372 -179.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 30.2 p -100.38 166.62 10.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.03 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.73 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.73 -51.89 43.93 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.285 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.53 -49.97 75.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.142 0.496 . . . . 0.0 110.09 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.01 -35.22 68.98 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.384 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.07 -32.89 61.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.962 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -36.81 85.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.383 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.572 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -67.31 -15.08 63.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.4 tttt 101.08 16.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.241 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 587' ' ' LEU . 2.9 mp -83.88 116.36 64.36 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.076 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.63 160.2 9.84 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.029 2.486 . . . . 0.0 113.308 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.613 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.7 OUTLIER -61.9 -24.51 66.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.203 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.53 -17.47 59.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.786 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -116.32 -42.34 3.04 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.613 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.8 ptp180 -54.82 -29.56 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 111.171 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -50.13 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.51 79.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.162 0.506 . . . . 0.0 110.261 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.401 ' O ' HG12 ' A' ' 601' ' ' ILE . 70.4 mt -60.2 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.294 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -56.16 -42.36 76.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -59.18 -44.83 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.357 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.18 98.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.189 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 597' ' ' ILE . 37.8 mm -64.9 -35.84 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.48 -44.97 77.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -59.33 -41.63 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -63.14 -31.57 72.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -32.72 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -67.34 -32.99 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.7 -32.89 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.78 -32.44 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.91 -24.94 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 64.02 93.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 7.9 t -138.06 99.87 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.02 95.36 49.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.03 -58.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.474 2.116 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 615' ' ' HIS . 78.7 p -168.74 139.97 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 614' ' ' SER . 82.0 m-70 -157.33 145.7 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.93 30.8 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 8.9 mp -133.34 -69.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 60.76 179.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 30.6 p -98.86 111.02 59.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.36 160.55 48.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.47 2.113 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 58.4 m -157.31 -49.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.933 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.6 m -124.63 126.14 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -78.78 162.93 63.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.63 135.51 56.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.561 2.174 . . . . 0.0 112.318 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.2 -36.86 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.75 162.97 4.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 36.2 t -86.47 124.09 32.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.14 0.495 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 52.5 p -105.2 159.73 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.196 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 13.4 mm -65.18 -27.8 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.19 -49.74 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.0 m -78.12 -36.83 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.298 0.571 . . . . 0.0 109.935 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.461 ' CD2' HG13 ' A' ' 573' ' ' ILE . 2.2 t80 -60.92 -47.7 85.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.547 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 29.2 mt -74.15 -38.98 63.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -27.81 65.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.405 HD12 ' CE1' ' A' ' 552' ' ' PHE . 7.3 mt -94.94 -18.16 21.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.249 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.18 47.76 4.84 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 11.6 m -148.4 43.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -28.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -25.51 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 8.0 m -69.2 -20.04 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.395 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.82 -38.42 61.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.448 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.41 -36.12 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -71.09 -34.15 70.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 587' ' ' LEU . 49.0 m-85 -75.23 -48.61 22.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 p -60.49 -41.15 93.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.9 p -57.23 -20.7 28.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.402 ' HB3' HD13 ' A' ' 570' ' ' LEU . 0.2 OUTLIER -106.15 -13.47 15.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.355 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.0 27.98 5.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.597 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.5 mp -118.23 115.88 25.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.758 0.314 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -29.75 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.635 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -101.24 150.91 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.288 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 5.7 tt -66.22 -40.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.418 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 21.4 m-85 -54.37 -35.73 63.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.794 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -25.79 61.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 30.9 pt -117.2 15.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.498 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -50.53 -26.79 5.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.674 0.273 . . . . 0.0 111.386 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -119.71 27.73 8.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.92 142.44 44.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 112.494 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.8 p -100.69 168.46 9.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.89 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.418 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -61.71 -29.28 69.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.5 -52.79 34.94 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.29 -45.86 83.72 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.158 0.504 . . . . 0.0 110.274 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.51 -36.93 77.01 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.078 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -43.02 99.55 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.2 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.43 -18.88 62.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.026 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 11.5 tttm 99.48 19.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.932 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.489 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -77.68 126.06 84.92 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.079 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.42 149.03 24.46 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.855 2.37 . . . . 0.0 112.623 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -30.24 70.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -69.97 -17.79 63.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.387 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -116.39 -35.39 4.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.407 ' HB3' HG23 ' A' ' 589' ' ' ILE . 3.7 ptp180 -57.14 -36.85 71.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . 0.418 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.9 OUTLIER -68.22 -49.8 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.468 179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.45 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.088 0.471 . . . . 0.0 110.412 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.452 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 29.4 mt -61.22 -47.74 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.109 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -57.01 -42.11 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -59.76 -43.69 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.24 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.52 -41.7 98.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.012 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 601' ' ' ILE . 36.6 mm -64.03 -47.94 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -44.52 89.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.5 -30.89 61.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -72.77 -38.6 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -59.69 -37.71 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -69.35 -30.76 68.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.18 -31.02 27.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -73.96 -38.27 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -103.46 89.71 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.83 174.55 6.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 90.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.53 146.67 41.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 110.53 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.543 2.162 . . . . 0.0 112.246 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 143.15 16.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 179.25 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 71.3 mt -47.83 140.18 6.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.32 33.91 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.07 -71.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 1.9 t -134.21 127.24 18.9 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.33 -35.5 75.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.348 2.032 . . . . 0.0 112.253 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -128.12 135.59 50.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 4.6 p -73.27 80.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -114.12 156.04 44.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.95 133.23 24.72 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.557 2.172 . . . . 0.0 112.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.48 -46.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -162.11 157.02 22.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.433 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 35.4 m -76.57 126.11 30.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.5 p -105.24 153.19 21.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 549' ' ' ILE . 14.6 mm -63.65 -27.75 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.96 -49.78 80.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.5 m -78.23 -36.07 47.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.194 0.521 . . . . 0.0 109.889 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.441 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.4 t80 -61.31 -45.72 93.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.43 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.05 -41.08 62.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.53 67.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.42 -28.68 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 552' ' ' PHE . 30.2 mt -93.3 -18.08 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.56 43.47 6.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.614 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.92 45.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 86.8 p -61.57 -29.79 70.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 83.4 p -59.81 -23.88 63.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.405 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.4 m -71.22 -19.93 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.523 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.36 -38.32 63.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 111.476 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.52 -35.56 53.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 36.2 m-85 -71.76 -34.11 69.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.487 ' CD1' HD11 ' A' ' 587' ' ' LEU . 49.1 m-85 -75.3 -48.86 21.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.0 p -60.82 -42.22 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 8.9 p -58.17 -19.51 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.88 -13.49 15.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.702 0.287 . . . . 0.0 111.477 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.81 28.03 6.1 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.645 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -119.75 115.83 24.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 71.6 p -121.65 -22.85 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.813 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -107.52 147.54 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.433 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -65.37 -40.12 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -54.26 -38.17 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.732 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -23.19 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.004 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 33.0 pt -120.78 15.27 6.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.508 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.99 -27.25 5.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.4 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -120.49 29.9 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.83 142.78 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 112.353 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.5 p -100.42 167.59 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.049 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.419 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 7.6 ttm -60.33 -29.46 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -52.05 40.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.316 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.6 -48.19 81.78 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.3 -36.31 73.13 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.253 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.12 -31.77 61.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.059 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.4 t -63.43 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.209 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -66.37 -15.4 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.117 179.03 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 39.7 tttt 99.04 18.48 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.138 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.467 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.9 mp -82.22 122.98 79.76 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.33 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.81 161.63 4.44 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.87 2.38 . . . . 0.0 112.831 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 45.9 mt-10 -66.93 -39.81 87.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.45 -15.49 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.552 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -113.34 -40.06 3.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.433 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.465 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.1 ptp180 -56.74 -35.65 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.147 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . 0.419 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 1.2 t-160 -65.89 -50.02 65.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.86 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.163 0.506 . . . . 0.0 110.589 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.441 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 40.8 mt -59.56 -46.84 92.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.324 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -55.44 -44.22 76.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.413 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -42.65 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.183 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.98 98.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.136 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 601' ' ' ILE . 35.7 mm -66.05 -40.72 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 11.2 mt -67.23 -41.73 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -30.94 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -67.74 -40.14 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.47 -31.03 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.89 -29.47 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.02 -30.81 68.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -101.29 -39.38 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -117.56 101.2 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.74 148.17 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 49.9 p -155.16 124.46 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 55.4 p -117.48 90.15 34.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 108.56 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.554 2.169 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 40.1 m -158.48 -44.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 35.8 m80 63.45 93.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.79 -45.27 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.4 pp -105.77 39.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.67 138.57 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 62.4 p -121.65 92.17 48.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.58 179.17 3.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 142.51 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 86.5 p -104.09 -37.18 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.46 155.81 92.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.25 154.12 66.06 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.594 2.196 . . . . 0.0 112.37 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.96 -86.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.98 -75.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 46.1 t -96.63 125.62 41.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.6 p -105.23 159.93 15.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.199 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 15.4 mm -65.02 -28.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.65 -49.78 80.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 48.1 t -78.14 -35.96 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.169 0.509 . . . . 0.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 573' ' ' ILE . 2.1 t80 -61.69 -46.52 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.503 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.14 -40.93 62.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.22 68.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.61 -29.09 69.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 16.4 mt -95.23 -18.1 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.98 45.39 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 92.8 m -146.02 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 22.3 p -62.03 -28.07 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.3 t -60.42 -23.38 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.425 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -73.95 -19.9 60.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.468 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -38.36 52.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.446 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -36.15 55.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.425 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.7 m-85 -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 587' ' ' LEU . 45.5 m-85 -75.37 -48.82 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 16.8 p -60.3 -41.7 93.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 13.9 p -56.03 -20.52 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.674 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.467 ' HB3' HD13 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -107.71 -13.64 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.593 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.7 27.98 5.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.455 -0.878 . . . . 0.0 113.278 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.517 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -118.01 111.94 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.549 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.33 -28.64 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.7 p -102.53 149.08 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.245 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.41 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.347 0.594 . . . . 0.0 109.668 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 38.7 m-85 -55.79 -35.58 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.989 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -22.22 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 32.2 pt -123.6 15.42 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -50.75 -26.57 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.721 0.296 . . . . 0.0 111.367 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.68 27.37 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.214 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.05 142.92 45.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.315 0.579 . . . . 0.0 112.522 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.1 p -100.61 168.81 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.899 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.49 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.22 -51.96 46.93 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.456 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.84 -47.41 82.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.077 0.465 . . . . 0.0 110.262 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.38 -35.06 73.22 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.245 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.34 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.858 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -41.51 97.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.195 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.569 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.27 -19.2 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.943 178.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 6.8 tmtt? 98.81 20.7 0.01 OUTLIER 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.972 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.487 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -79.94 125.74 81.32 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.183 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.94 147.75 61.23 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.685 2.257 . . . . 0.0 112.829 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 21.0 mt-10 -56.64 -27.26 58.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -16.1 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.628 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -112.37 -47.05 3.12 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 598' ' ' TRP . 0.1 OUTLIER -54.91 -29.27 55.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.586 0.231 . . . . 0.0 111.297 -179.545 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -50.25 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.722 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.94 71.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.439 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 47.4 mt -59.94 -45.13 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 20.0 t90 -57.06 -46.13 82.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.252 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -56.95 -42.29 79.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.15 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.87 99.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.045 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.452 HD11 HG22 ' A' ' 601' ' ' ILE . 33.4 mm -66.0 -41.78 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.22 -49.05 78.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -57.81 -38.62 75.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -68.62 -32.0 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -75.56 -31.74 60.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.87 -31.36 70.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 20.5 mt -67.71 -37.9 82.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -42.05 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -140.88 116.66 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -126.83 134.35 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 51.8 p -76.31 111.79 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 19.8 m -88.54 140.4 29.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.79 -44.03 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.504 2.136 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 10.1 m -132.33 160.62 35.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -125.08 55.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.17 -168.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.77 149.29 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.95 -67.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' THR . . . . . 0.408 ' CB ' ' CD ' ' A' ' 620' ' ' PRO . 0.0 OUTLIER -78.15 -61.43 0.58 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 619' ' ' THR . 71.1 Cg_endo -74.75 142.63 28.94 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.366 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 91.8 p -124.92 135.24 52.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.827 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.56 30.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . 0.437 ' HB2' ' HD3' ' A' ' 544' ' ' PRO . 5.4 m-85 -88.86 -51.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 543' ' ' TYR . 46.2 Cg_exo -55.89 154.1 28.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.429 2.086 . . . . 0.0 112.211 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.2 p -151.2 118.08 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -158.51 164.38 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.421 ' HB3' HG22 ' A' ' 573' ' ' ILE . 92.0 m -62.72 114.31 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.48 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 77.9 p -105.3 155.89 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 549' ' ' ILE . 20.9 mm -63.14 -29.39 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.52 -49.84 78.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.174 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 30.4 t -78.2 -33.2 50.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 2.3 t80 -64.56 -45.43 87.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.474 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 19.4 mt -74.01 -41.67 61.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.669 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.18 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.61 -18.13 17.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.96 50.61 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.564 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 65.1 m -149.31 41.44 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 12.0 m -61.4 -29.17 69.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 25.1 p -61.22 -25.15 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.3 m -73.77 -19.85 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.426 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -37.15 49.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.629 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.41 -36.61 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.433 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 36.3 m-85 -70.67 -34.24 71.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 589' ' ' ILE . 45.6 m-85 -75.42 -48.63 21.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.15 -37.91 84.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.47 -21.49 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.399 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.18 -13.71 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.637 0.256 . . . . 0.0 111.539 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.92 29.01 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.397 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.555 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -93.66 111.93 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.128 0.464 . . . . 0.0 110.712 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.9 m -115.06 -23.21 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -108.63 150.82 26.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.16 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.216 0.531 . . . . 0.0 109.622 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -55.04 -39.02 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.732 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -57.92 -23.57 53.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.469 ' HB ' ' CG ' ' A' ' 579' ' ' TYR . 29.8 pt -121.8 15.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.617 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -50.31 -25.54 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.407 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 29.69 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.288 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.555 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.52 139.9 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.518 0.675 . . . . 0.0 112.683 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 38.6 p -100.67 174.12 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.021 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -27.56 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.58 -50.35 45.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.624 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.9 -48.64 80.88 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 110.17 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.5 OUTLIER -58.11 -37.04 73.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.14 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.44 60.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.119 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 26.6 t -61.18 -43.18 99.29 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.272 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 1.0 OUTLIER -64.73 -15.5 61.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.101 178.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 4.5 ttmm 92.04 25.2 0.02 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.788 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.443 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.3 mp -77.21 129.37 78.21 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.311 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.89 153.94 10.87 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.756 2.304 . . . . 0.0 112.816 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -67.7 -30.0 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.12 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -71.14 -17.02 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -113.9 -35.24 5.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.33 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.9 ptp180 -54.91 -40.5 69.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 40.2 mt -58.92 -48.39 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.382 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -54.77 -42.98 72.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.75 -43.79 94.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.09 -41.3 98.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 552' ' ' PHE . 41.2 mm -65.07 -38.84 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.397 . . . . 0.0 110.888 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.88 -44.28 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.6 -31.0 69.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -64.97 -34.14 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -60.15 -28.82 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.34 -28.7 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.06 -28.52 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.0 -19.53 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 65.97 94.3 0.06 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -78.01 174.28 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 72.0 p -110.64 132.23 54.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.8 m -124.48 140.88 36.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.61 -174.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.475 2.117 . . . . 0.0 112.284 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 60.0 p -164.0 31.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -136.2 149.71 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.0 tp -117.81 100.33 7.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -51.39 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 60.36 108.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 24.5 p -106.51 150.39 39.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -61.58 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.568 2.179 . . . . 0.0 112.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.9 t -165.06 -44.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.865 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.04 104.76 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.315 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . 0.504 ' HB2' ' HD3' ' A' ' 544' ' ' PRO . 43.3 m-85 -84.01 -45.84 0.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' A' ' 543' ' ' TYR . 25.0 Cg_exo -62.82 126.21 17.66 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.348 2.032 . . . . 0.0 112.158 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 2.5 m 76.07 -0.95 3.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.58 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 65.57 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 110.968 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.449 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 34.9 m -75.17 111.83 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.744 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -102.06 156.38 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.273 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 4.2 mm -65.33 -28.8 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.95 -49.77 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 68.3 p -77.98 -37.41 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.276 0.56 . . . . 0.0 109.854 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.457 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.6 t80 -60.14 -46.01 91.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.409 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 24.5 mt -74.06 -38.76 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.614 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.48 69.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -68.58 -28.05 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.411 HD12 ' CE2' ' A' ' 552' ' ' PHE . 6.4 mt -95.8 -18.17 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.73 7.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.602 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 61.0 m -143.24 42.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -28.11 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.1 t -60.1 -22.35 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 74.4 m -75.3 -19.64 59.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.507 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.96 -38.86 53.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.409 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -52.46 -37.07 56.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.413 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.5 m-85 -70.9 -33.37 70.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CD2' ' CD1' ' A' ' 587' ' ' LEU . 49.2 m-85 -75.32 -48.81 21.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.1 p -61.66 -38.02 86.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.732 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.3 p -56.24 -21.72 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.408 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.87 -13.65 15.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 111.409 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.32 14.88 15.19 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.6 OUTLIER -102.11 111.85 24.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.687 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 3.2 p -112.07 -33.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.7 p -99.02 150.55 21.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 549' ' ' ILE . 5.5 tt -72.47 -29.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 109.926 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.51 -35.92 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.34 -24.48 63.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 579' ' ' TYR . 30.9 pt -117.67 15.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.522 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -51.18 -25.69 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.253 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -119.07 30.26 7.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.504 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.69 142.83 42.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.426 0.631 . . . . 0.0 112.565 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.1 p -100.55 170.5 8.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.819 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.412 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 6.3 ttm -62.93 -28.1 69.83 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -51.61 38.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -59.46 -48.02 83.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.174 0.511 . . . . 0.0 110.186 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.81 -35.86 73.54 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.16 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.13 -32.27 61.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 8.4 t -61.08 -43.14 99.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.226 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.582 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.5 OUTLIER -62.03 -19.64 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.954 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 ttmm 100.37 20.15 0.0 OUTLIER 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.9 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.8 mp -79.88 125.07 82.83 Favored Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.914 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 164.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.729 2.286 . . . . 0.0 113.028 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.5 OUTLIER -67.12 -29.14 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.8 -22.98 55.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.15 -42.66 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.435 ' HB3' HG23 ' A' ' 589' ' ' ILE . 8.2 ptp180 -56.78 -37.56 71.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . 0.412 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.9 OUTLIER -66.2 -50.22 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.08 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.115 0.483 . . . . 0.0 110.541 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.457 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 72.5 mt -59.01 -46.79 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.288 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -55.19 -43.84 74.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -58.3 -44.4 88.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.033 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.74 95.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.972 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 597' ' ' ILE . 37.1 mm -67.0 -41.49 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.74 -48.99 79.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -30.93 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -77.45 -31.28 53.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.63 -28.74 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -57.53 -30.88 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.68 -38.53 88.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.43 -42.04 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.83 93.16 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -66.69 167.76 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.2 m -147.22 141.69 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 3.4 t -117.91 89.6 34.48 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.44 159.88 9.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.532 2.154 . . . . 0.0 112.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.1 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.031 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.36 154.43 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.33 41.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -83.73 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -120.74 127.18 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 17.0 p -120.01 115.35 33.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.39 77.24 0.95 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.407 2.071 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.8 m 59.83 85.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.7 p -138.6 -60.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -83.47 157.56 64.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.4 134.5 33.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.537 2.158 . . . . 0.0 112.246 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 2.5 m -59.5 -30.74 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.98 134.01 45.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.462 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.3 m -71.74 138.1 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.028 0.442 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.16 153.02 22.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.287 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.429 HD13 HG22 ' A' ' 549' ' ' ILE . 21.8 mm -64.28 -28.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.715 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.26 -49.81 79.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.4 m -78.16 -36.18 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.325 0.584 . . . . 0.0 109.911 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' A' ' 573' ' ' ILE . 1.5 t80 -61.5 -46.59 89.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.502 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.08 -39.58 63.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.93 -37.81 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -28.61 68.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.786 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.88 -18.14 21.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.61 47.24 5.19 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 60.2 m -146.07 44.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -31.16 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -62.98 -26.0 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -70.9 -19.87 62.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -38.74 53.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 111.478 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.44 -39.22 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 27.9 m-85 -66.52 -34.55 78.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.747 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 587' ' ' LEU . 44.0 m-85 -75.44 -48.23 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 p -58.94 -37.92 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -24.83 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.329 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -101.17 -13.98 17.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.477 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.11 3.92 38.71 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.03 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.553 HD12 HD12 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -86.72 111.9 21.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.953 0.377 . . . . 0.0 110.508 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 68.4 p -112.79 -27.73 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 5.1 p -107.15 150.62 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.277 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.462 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.0 tt -61.82 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.366 0.603 . . . . 0.0 109.502 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.35 -36.88 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.831 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -21.72 42.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 21.9 pt -123.57 15.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.462 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -50.59 -29.73 11.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.407 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -115.23 24.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.53 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.4 142.14 48.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 112.256 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 34.0 p -100.51 169.29 9.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.035 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.416 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 2.5 mtp -60.99 -29.89 69.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -53.35 31.12 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.254 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.87 -50.21 73.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.032 0.444 . . . . 0.0 109.997 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.93 -35.85 67.08 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.17 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -32.16 61.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 10.4 p -65.04 -34.42 78.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -69.05 -13.68 62.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.166 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 tmtt? 98.05 17.08 0.01 OUTLIER 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.89 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.476 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -83.04 120.52 76.17 Favored Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.391 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.99 160.81 9.54 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.84 2.36 . . . . 0.0 112.83 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -65.54 -30.69 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -17.14 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -113.67 -34.21 5.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 111.257 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 5.9 ptp180 -61.04 -33.28 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.99 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . 0.416 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.3 OUTLIER -63.95 -50.11 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.0 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.418 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 45.0 mt -59.73 -47.41 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.526 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.411 ' CD2' ' HE1' ' A' ' 581' ' ' MET . 11.4 t90 -57.86 -39.65 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.458 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -47.06 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.393 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.82 98.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.236 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 601' ' ' ILE . 28.4 mm -66.26 -36.19 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.73 -45.34 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.26 73.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -68.08 -39.13 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.38 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -73.22 -31.2 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.69 -36.6 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -42.1 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.58 93.07 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -176.88 87.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -36.45 64.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.79 167.12 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.23 168.95 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.297 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 2.1 m -81.6 65.28 6.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -148.31 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 2.5 mp -94.53 -42.33 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -127.1 130.75 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -112.44 42.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.57 87.64 2.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.62 -41.53 4.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 78.7 p -165.15 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.89 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.2 m -83.01 -175.83 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -76.67 154.21 83.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.83 136.5 27.83 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.603 2.202 . . . . 0.0 112.397 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.52 -20.43 17.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.0 140.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.46 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.1 m -97.06 141.68 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.085 0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 68.5 p -105.29 152.49 22.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.034 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.473 HD13 HG22 ' A' ' 549' ' ' ILE . 20.0 mm -63.95 -26.84 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . 0.41 ' N ' HD12 ' A' ' 562' ' ' LEU . 81.1 t -65.29 -49.82 76.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 37.3 t -78.18 -36.81 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.295 0.569 . . . . 0.0 109.806 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.455 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.1 t80 -60.02 -48.4 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.97 -38.64 64.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.27 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.409 ' CD1' ' CE2' ' A' ' 552' ' ' PHE . 2.6 mt -96.08 -18.25 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.46 47.65 5.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 14.0 m -146.53 41.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -28.68 69.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -25.34 67.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 64.3 m -71.59 -19.89 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.42 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 550' ' ' VAL . 0.2 OUTLIER -52.33 -37.72 56.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.481 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 110.716 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 25.2 m-85 -71.65 -33.7 69.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.448 ' CD2' HD11 ' A' ' 587' ' ' LEU . 48.5 m-85 -75.36 -48.75 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 p -61.44 -41.33 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 6.6 p -57.98 -18.94 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.332 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 5.0 tp-100 -106.91 -13.66 15.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.683 0.278 . . . . 0.0 111.456 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 21.5 9.65 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.934 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.4 mp -110.27 112.64 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.654 0.264 . . . . 0.0 110.387 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.08 -27.9 6.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.869 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 15.8 p -102.18 150.3 23.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 111.493 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.46 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 7.7 tt -64.22 -36.0 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.353 178.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -59.38 -35.84 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.939 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -57.57 -22.2 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 579' ' ' TYR . 31.9 pt -123.56 15.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.538 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -50.6 -31.25 15.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 111.342 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -116.72 27.38 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.08 143.31 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.39 0.614 . . . . 0.0 112.279 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.4 p -100.6 163.96 12.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.87 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.402 ' HE2' ' CD2' ' A' ' 595' ' ' HIS . 0.4 OUTLIER -56.92 -29.64 63.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -67.66 -52.65 35.45 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.381 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.89 -46.46 84.88 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.134 0.493 . . . . 0.0 110.207 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.92 -34.62 73.46 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.995 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.54 61.5 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.839 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -40.63 96.98 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.209 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.568 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -63.79 -17.15 62.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.056 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 100.11 19.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.175 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 584' ' ' LEU . 2.2 mp -83.71 119.84 74.28 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.082 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.2 166.35 4.43 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.85 2.367 . . . . 0.0 112.891 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.4 mp0 -64.63 -39.92 94.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -14.86 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.634 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.39 -50.22 2.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 3.8 ptm180 -54.93 -28.36 50.45 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . 0.402 ' CD2' ' HE2' ' A' ' 581' ' ' MET . 0.0 OUTLIER -66.01 -50.16 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.667 0.27 . . . . 0.0 110.843 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.13 71.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.139 0.495 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 50.3 mt -60.04 -44.75 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.384 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CZ2' HD12 ' A' ' 602' ' ' LEU . 31.1 t90 -55.88 -46.4 78.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -58.97 -43.03 91.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.335 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.52 96.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.117 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 552' ' ' PHE . 35.3 mm -65.49 -39.48 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.419 HD12 ' CZ2' ' A' ' 598' ' ' TRP . 5.8 mt -61.54 -42.13 98.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -45.59 87.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -66.14 -31.03 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -47.03 86.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -64.58 -31.77 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.32 -30.09 70.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.64 -23.64 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -71.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.934 0.397 . . . . 0.0 111.102 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -147.72 -59.02 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.6 t 61.13 31.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 137.97 27.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -77.17 60.05 6.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.582 2.188 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.31 156.39 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -102.71 -70.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.59 136.34 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 2.7 mp -147.29 -43.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -34.81 13.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 47.3 p -146.87 86.41 6.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -47.84 24.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.645 2.23 . . . . 0.0 112.217 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 64.2 p -111.36 132.32 54.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 5.4 t -166.05 79.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.73 157.11 74.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 133.35 25.32 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.522 2.148 . . . . 0.0 112.279 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 3.2 m 60.37 164.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.16 -176.63 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.475 ' HB3' HG22 ' A' ' 573' ' ' ILE . 71.2 m -64.65 111.93 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.197 0.523 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 74.7 p -105.0 154.6 19.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.147 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.453 HD13 HG22 ' A' ' 549' ' ' ILE . 23.5 mm -63.51 -26.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.108 0.48 . . . . 0.0 109.874 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.26 -49.99 67.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.157 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 9.1 t -78.14 -32.5 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.97 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 1.7 t80 -64.77 -47.29 78.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.658 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.03 -39.39 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.591 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.37 74.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.78 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.2 -18.07 23.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 89.6 22.82 35.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.747 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.66 50.61 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -28.34 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 9.1 m -58.04 -22.08 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.43 -19.79 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.481 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -36.43 38.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.622 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -40.19 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.93 -33.27 75.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.454 ' CE1' ' CD1' ' A' ' 587' ' ' LEU . 48.4 m-85 -75.44 -48.28 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 p -58.88 -38.98 80.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 28.9 p -55.82 -23.79 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.384 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -103.23 -13.82 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 111.244 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.43 3.82 40.73 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.846 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 587' ' ' LEU . 0.4 OUTLIER -83.82 111.9 19.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.2 m -112.05 -28.38 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -109.46 152.91 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.475 HG22 ' HB3' ' A' ' 547' ' ' CYS . 6.7 tt -70.11 -34.98 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -53.59 -40.26 65.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.69 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.671 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 579' ' ' TYR . 22.2 pt -116.08 15.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.31 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.38 -32.47 11.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.651 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -116.27 29.79 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.517 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.96 143.52 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.368 0.604 . . . . 0.0 112.376 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.7 p -100.37 166.54 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.182 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.411 ' HE2' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -59.4 -29.8 67.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.82 -52.4 44.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.237 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.427 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 41.5 m-20 -58.68 -52.33 66.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -54.48 -35.36 63.0 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.657 0.742 . . . . 0.0 110.306 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.96 61.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.863 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.7 t -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.109 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -65.46 -16.57 63.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.917 178.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 2.9 ttmm 100.11 16.37 0.01 OUTLIER 'General case' 0 C--N 1.339 0.133 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.87 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.465 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.8 mp -81.62 124.18 80.09 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.21 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.65 164.61 2.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.004 2.469 . . . . 0.0 113.175 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.509 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -70.14 -32.78 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.57 -20.19 61.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -107.17 -39.3 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 111.403 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.509 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.2 ptp180 -54.88 -33.95 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.199 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.97 68.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.749 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.16 73.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.596 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.451 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 72.6 mt -59.83 -46.13 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.518 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CE2' HD12 ' A' ' 602' ' ' LEU . 12.5 t90 -58.34 -44.91 88.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.31 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.079 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.39 96.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.04 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . . . . . . . . . 17.6 mt -60.3 -52.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 598' ' ' TRP . 15.5 mt -60.26 -41.04 92.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.49 -30.95 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -67.54 -29.75 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -77.29 -33.45 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.1 -32.75 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -38.59 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.58 101.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -90.36 151.52 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 60.2 m -148.1 169.04 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 46.3 t -171.82 101.42 0.38 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.67 -41.97 7.55 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.372 2.048 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 29.8 t -72.64 143.15 48.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.2 m80 61.34 179.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 80.7 mt -94.28 170.17 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.83 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.018 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -147.68 -71.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 18.7 m -112.94 97.2 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.22 115.64 2.01 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.528 2.152 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 48.4 m -113.67 115.17 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.88 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 61.5 m -128.42 151.53 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -64.84 161.56 45.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.19 153.96 11.78 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.8 p -70.55 179.07 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 -69.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 51.7 t -95.35 127.35 41.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.014 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.1 p -105.22 160.14 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.097 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 573' ' ' ILE . 13.6 mm -66.0 -28.85 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 109.766 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.06 -49.59 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.8 p -78.18 -36.57 47.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.561 . . . . 0.0 110.034 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 548' ' ' SER . 4.8 t80 -61.21 -50.3 73.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.797 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 21.5 mt -73.69 -41.06 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.58 -36.56 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -28.46 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.21 -18.06 22.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.246 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.66 46.91 5.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.8 m -143.68 40.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 50.5 p -60.53 -30.34 69.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -26.59 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.3 m -73.21 -19.86 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.309 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.31 -37.24 46.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.537 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -52.47 -38.56 59.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.1 m-85 -67.59 -34.45 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 587' ' ' LEU . 47.4 m-85 -75.52 -48.48 22.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.6 -34.83 74.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -22.54 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.45 -13.79 15.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 109.13 3.83 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.588 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -85.31 111.81 20.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.65 -28.44 6.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.5 p -102.8 150.08 23.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.074 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.9 tt -62.9 -39.22 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 109.783 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.29 -35.93 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -57.92 -21.82 45.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.425 ' CG2' HD23 ' A' ' 570' ' ' LEU . 31.3 pt -122.66 15.31 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.471 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.06 -25.85 9.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.739 0.304 . . . . 0.0 111.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -117.19 25.66 10.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.219 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.56 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.72 140.8 48.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.454 0.645 . . . . 0.0 112.461 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 41.2 p -100.72 171.56 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.935 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -29.54 70.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -52.14 38.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.485 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.17 -48.56 79.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 110.239 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.5 OUTLIER -59.29 -35.0 72.96 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.289 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.33 61.71 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.992 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.101 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.2 OUTLIER -61.47 -19.94 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 19.3 ttmt 98.1 23.13 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.911 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.7 mp -80.83 125.99 78.84 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.37 145.54 78.04 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.636 2.224 . . . . 0.0 112.843 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 3.8 mt-10 -55.24 -23.39 22.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.36 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.16 -15.85 58.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.654 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.91 -46.54 3.11 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 589' ' ' ILE . 0.1 OUTLIER -55.0 -29.31 57.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.575 0.226 . . . . 0.0 111.281 -179.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -50.24 60.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.45 75.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 0.0 110.24 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' ' 601' ' ' ILE . 25.6 mt -59.69 -45.81 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.098 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.42 ' CZ2' HD12 ' A' ' 602' ' ' LEU . 26.2 t90 -55.86 -45.61 78.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.07 83.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.182 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.86 -38.96 96.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.218 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 597' ' ' ILE . 35.0 mm -68.17 -37.96 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . 0.42 HD12 ' CZ2' ' A' ' 598' ' ' TRP . 3.3 mt -66.44 -48.86 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.73 -31.51 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -78.01 -34.56 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -76.26 -31.3 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.95 -31.1 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.95 -35.04 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -33.48 20.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.28 88.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.0 -178.25 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 3.2 m -111.23 -32.82 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.3 m -132.32 91.4 31.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.87 -32.6 22.21 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.479 2.119 . . . . 0.0 112.275 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 20.1 m -119.53 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -98.92 112.09 24.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.4 mt 62.63 123.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.0 146.29 34.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -77.67 176.86 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 10.0 t -142.59 137.02 14.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.01 174.45 12.36 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 69.9 m -158.39 -47.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.897 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.29 97.94 3.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -129.59 148.49 69.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.17 130.29 16.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.595 2.196 . . . . 0.0 112.396 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.97 158.91 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.793 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 574' ' ' TYR . 18.8 m-20 -157.76 149.59 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.473 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 1.3 m -70.09 140.59 52.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 64.8 p -105.31 154.82 19.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.314 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 549' ' ' ILE . 23.5 mm -64.5 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.672 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.08 -49.64 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -36.11 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.304 0.573 . . . . 0.0 109.785 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.453 ' CD1' HD13 ' A' ' 573' ' ' ILE . 1.2 t80 -62.06 -45.51 93.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.425 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.73 -40.98 69.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.12 70.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.7 -29.17 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.422 ' CD1' ' CE1' ' A' ' 552' ' ' PHE . 3.5 mt -98.43 -18.12 18.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.71 48.93 4.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.567 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 34.0 m -148.44 45.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 4.7 m -60.55 -29.58 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 8.2 m -62.83 -26.78 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -69.77 -19.82 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.415 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -37.58 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.598 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.46 -37.32 56.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 31.1 m-85 -68.79 -34.62 75.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.466 ' CD1' HD11 ' A' ' 587' ' ' LEU . 44.5 m-85 -75.68 -48.45 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.85 -36.12 78.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -22.15 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -106.46 -13.9 15.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.336 . . . . 0.0 111.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.64 3.77 32.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.868 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -84.8 111.87 20.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.523 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 69.1 p -115.35 -27.17 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.14 146.81 28.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.473 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 8.1 tt -60.84 -36.93 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 109.726 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.412 ' CE1' ' OD2' ' A' ' 546' ' ' ASP . 34.1 m-85 -59.96 -33.9 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.24 44.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.418 ' HB ' ' CG ' ' A' ' 579' ' ' TYR . 27.7 pt -123.98 15.19 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.589 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -50.66 -26.57 5.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 111.467 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -118.81 29.45 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.536 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.82 140.96 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.376 0.608 . . . . 0.0 112.473 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.5 p -100.37 171.77 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.062 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' MET . . . . . 0.416 ' HE2' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -62.41 -29.04 70.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -51.21 42.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -59.58 -47.39 85.76 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 110.142 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.11 -35.93 74.28 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.132 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.37 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.945 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 34.5 t -61.74 -42.0 98.39 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.3 OUTLIER -62.9 -18.67 63.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.906 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.1 tttm 97.73 21.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.812 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.484 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.5 mp -78.93 125.79 83.33 Favored Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.317 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.54 159.69 6.13 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.792 2.328 . . . . 0.0 113.009 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.48 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.0 tt0 -67.62 -28.78 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -18.43 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.471 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.18 -34.94 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 111.327 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.48 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.9 ptp180 -54.88 -38.98 68.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.334 . . . . 0.0 111.085 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -50.07 66.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -59.5 -52.02 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.099 0.476 . . . . 0.0 110.597 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.78 -49.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.263 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.416 ' CE3' ' HE2' ' A' ' 581' ' ' MET . 20.9 t90 -55.8 -41.35 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.368 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -59.71 -43.19 94.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.28 -42.19 99.71 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.12 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 552' ' ' PHE . 37.0 mm -63.27 -42.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.8 mt -67.97 -44.26 77.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -35.18 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -61.75 -33.03 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -75.59 -31.67 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -80.8 -33.12 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.3 -25.27 65.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -73.88 -30.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -102.13 84.11 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.57 165.36 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 60.2 p -115.28 -44.73 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.3 m -63.89 147.85 95.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 126.21 11.85 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.572 2.182 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 1.3 m -144.81 -71.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.98 96.24 6.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 9.0 mt -131.94 122.88 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 94.3 mt -91.98 118.66 30.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -102.81 146.28 28.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 1.5 m -64.35 111.49 5.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.54 179.62 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.454 2.103 . . . . 0.0 112.232 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 6.8 m -150.54 141.54 22.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.4 m -129.91 31.59 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.77 160.66 0.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.99 137.2 53.13 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.565 2.177 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 14.8 p -136.7 170.67 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -159.34 -68.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.45 ' CB ' ' CG2' ' A' ' 573' ' ' ILE . 8.9 m -85.17 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.5 p -105.38 154.34 20.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.112 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.436 HD13 HG22 ' A' ' 549' ' ' ILE . 21.2 mm -63.67 -28.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.77 -49.81 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.1 m -78.12 -36.59 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' PHE . . . . . 0.453 ' CZ ' HG21 ' A' ' 597' ' ' ILE . 2.3 t80 -60.69 -46.76 89.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.429 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 20.2 mt -73.98 -39.35 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.47 -37.16 67.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -30.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.709 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' A' ' 552' ' ' PHE . 8.1 mt -92.08 -18.15 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.82 41.83 7.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.0 m -141.2 45.89 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 34.2 t -59.86 -30.17 68.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.7 t -62.78 -27.81 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' CYS . . . . . 0.409 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 3.3 m -67.2 -19.9 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.366 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.21 -36.48 63.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.655 0.264 . . . . 0.0 111.374 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -52.47 -36.51 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 35.5 m-85 -70.55 -33.98 71.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.817 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 587' ' ' LEU . 52.0 m-85 -75.27 -48.57 22.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.4 p -60.01 -42.82 95.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 27.5 p -58.1 -20.02 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' GLN . . . . . 0.408 ' HB3' ' CD1' ' A' ' 570' ' ' LEU . 0.1 OUTLIER -105.0 -13.6 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.64 0.257 . . . . 0.0 111.408 -179.78 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.22 28.13 6.6 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.851 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 579' ' ' TYR . 1.5 mp -117.8 113.44 21.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.1 p -118.54 -24.91 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.854 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.88 148.33 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.416 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' ILE . . . . . 0.45 ' CG2' ' CB ' ' A' ' 547' ' ' CYS . 6.8 tt -64.33 -38.39 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 109.658 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -55.63 -37.14 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.779 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.19 45.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' ILE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 579' ' ' TYR . 30.2 pt -123.98 15.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.649 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -50.16 -30.41 11.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -119.76 29.92 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' TYR . . . . . 0.481 ' CZ ' HD23 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.4 144.45 46.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 112.409 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.56 165.79 11.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.999 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -30.03 68.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.95 -52.95 36.65 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' ASP . . . . . 0.417 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 40.0 m-20 -57.49 -50.27 73.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.062 0.458 . . . . 0.0 110.187 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 589' ' ' ILE . 0.4 OUTLIER -56.19 -35.91 67.8 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.111 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.01 61.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.005 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -36.22 83.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.223 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.541 ' O ' ' CB ' ' A' ' 588' ' ' LYS . 0.7 OUTLIER -68.7 -12.43 61.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.261 178.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 1.3 tptt 97.0 17.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.157 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' ILE . . . . . 0.484 ' CD1' HD21 ' A' ' 584' ' ' LEU . 1.9 mp -81.75 124.89 79.18 Favored Pre-proline 0 CA--C 1.531 0.242 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.022 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.01 166.68 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.838 2.358 . . . . 0.0 113.128 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 11.2 tt0 -72.65 -27.47 62.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.193 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -77.85 -23.52 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.57 -41.45 6.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.7 ptp180 -55.56 -32.39 62.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -50.08 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.43 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.204 0.526 . . . . 0.0 110.474 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' ILE . . . . . 0.453 HG21 ' CZ ' ' A' ' 552' ' ' PHE . 65.7 mt -59.77 -48.26 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.94 -42.13 75.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -44.88 92.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.56 97.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.14 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ILE . . . . . 0.434 HD11 HG22 ' A' ' 601' ' ' ILE . 33.2 mm -66.81 -46.55 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.92 -42.96 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.82 -38.04 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -63.56 -38.11 89.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -65.14 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -33.1 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.25 -37.06 82.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.24 -39.86 16.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.9 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -48.23 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.25 113.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.93 87.17 41.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.82 -42.81 55.45 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.519 2.146 . . . . 0.0 112.392 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 2.4 m -158.28 115.2 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 60.54 -177.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.2 mt -114.96 -175.17 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.38 156.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 44.5 ttm-85 -147.45 105.82 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' A' ' 620' ' ' PRO . 0.2 OUTLIER -71.78 -52.42 8.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 619' ' ' THR . 68.2 Cg_endo -74.66 131.06 14.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.353 2.035 . . . . 0.0 112.455 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 30.7 t -146.75 153.19 39.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.873 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.481 ' HB3' HG21 ' A' ' 573' ' ' ILE . 63.1 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 121.063 0.459 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 p -105.28 155.53 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.271 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.684 HG22 HD12 ' A' ' 562' ' ' LEU . 20.1 mm -64.11 -27.86 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 79.2 t -64.58 -49.66 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -77.87 -36.21 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.345 0.593 . . . . 0.0 109.801 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.8 t80 -61.36 -45.98 92.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.412 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.625 HD12 HD12 ' A' ' 562' ' ' LEU . 30.6 mt -74.06 -38.5 63.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.56 -39.65 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.781 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -65.03 -29.34 70.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.728 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.9 mt -93.55 -18.24 22.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.94 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 82.1 m -151.17 45.07 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.5 m -61.18 -27.22 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -62.78 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.215 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.62 -19.76 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.411 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.97 -37.91 47.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 111.534 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 567' ' ' THR . 6.0 m-20 -52.47 -37.07 56.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 588' ' ' LYS . 37.8 m-85 -70.48 -33.72 71.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CD1' HG21 ' A' ' 549' ' ' ILE . 44.5 m-85 -75.38 -48.83 21.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.5 p -60.98 -39.52 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 563' ' ' ASP . 4.5 p -55.72 -20.82 15.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.551 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 570' ' ' LEU . 2.7 tp-100 -109.35 -13.7 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.412 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 107.9 28.21 4.83 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.622 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.857 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.0 OUTLIER -118.48 114.92 23.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.022 0.411 . . . . 0.0 110.767 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 4.6 p -118.52 -22.05 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.559 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.6 p -108.94 147.86 31.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.726 0.298 . . . . 0.0 111.321 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 547' ' ' CYS . 8.0 tt -62.4 -38.68 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.329 0.585 . . . . 0.0 109.83 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -56.69 -36.67 69.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -22.12 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.771 ' CG2' HD22 ' A' ' 570' ' ' LEU . 28.6 pt -123.98 15.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.426 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.459 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.8 tt0 -49.86 -28.75 6.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.506 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -118.62 29.04 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.185 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.857 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.25 143.75 42.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.464 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 48.0 p -100.37 165.64 11.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.017 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 6.3 ttm -59.49 -28.71 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -52.19 36.0 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.431 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 38.3 m-20 -58.32 -46.89 85.32 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.033 0.444 . . . . 0.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.959 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.01 -36.54 75.1 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.161 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.038 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 t -62.41 -40.26 95.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.761 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -63.84 -17.59 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.287 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 5.6 ttmt 101.16 17.28 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.925 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.82 124.21 83.46 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.087 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.84 161.6 4.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.797 2.331 . . . . 0.0 113.028 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.466 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.3 tp10 -67.83 -31.6 71.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.75 -20.83 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -107.39 -40.02 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.286 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' A' ' 584' ' ' LEU . 8.6 ptp180 -55.37 -36.53 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.17 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.94 -51.77 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.369 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.533 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 68.3 mt -59.1 -47.8 88.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.349 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -56.54 -41.0 76.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -59.76 -44.35 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.123 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.96 -41.4 99.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.147 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.0 mm -64.49 -43.33 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.22 -44.49 95.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.013 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.509 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.075 0.464 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.26 152.19 23.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.264 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -63.79 -26.92 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.56 -49.69 79.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.07 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.235 0.54 . . . . 0.0 109.777 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.651 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.0 OUTLIER -61.85 -45.45 93.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.363 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 562' ' ' LEU . 26.2 mt -74.11 -39.31 63.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.562 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.99 71.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.19 -28.73 69.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.651 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.7 mt -97.52 -18.15 19.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.17 48.42 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.521 ' O ' HD13 ' A' ' 553' ' ' LEU . 97.3 m -148.41 44.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -27.69 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -23.31 66.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.6 m -72.11 -19.87 61.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.43 -37.6 57.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.51 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 567' ' ' THR . 0.7 OUTLIER -52.41 -36.62 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.007 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.1 m-85 -70.82 -33.94 71.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.511 ' CD2' HG21 ' A' ' 549' ' ' ILE . 46.3 m-85 -75.39 -48.77 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.977 0.418 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.5 p -60.7 -41.01 94.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 563' ' ' ASP . 3.0 p -57.89 -19.64 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.327 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.723 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.22 -13.6 15.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.669 0.271 . . . . 0.0 111.461 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.29 28.03 6.26 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.772 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 576' ' ' ILE . 1.2 mp -119.19 114.07 21.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.0 p -117.05 -28.32 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.72 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 13.9 p -99.62 151.65 20.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 111.385 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.509 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -66.59 -37.29 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.343 0.592 . . . . 0.0 109.493 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -21.98 42.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.6 pt -123.57 15.27 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.0 OUTLIER -50.36 -27.77 6.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.31 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.25 29.21 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.735 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.19 141.55 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.459 0.647 . . . . 0.0 112.501 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.9 p -100.51 170.04 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.948 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -28.32 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -50.73 48.46 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.392 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.76 -49.96 75.38 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.64 -34.51 69.41 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.936 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.29 -33.13 61.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.32 83.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.98 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -70.85 -8.88 55.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.041 178.707 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 587' ' ' LEU . 0.2 OUTLIER 85.31 24.87 0.08 Allowed 'General case' 0 C--N 1.338 0.09 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.21 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.949 HD13 HD23 ' A' ' 584' ' ' LEU . 1.4 mp -81.11 129.84 65.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.176 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.25 153.9 15.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.899 2.399 . . . . 0.0 113.173 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -67.19 -28.16 67.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -74.43 -24.91 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.44 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.76 -36.11 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.295 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.1 ptp180 -54.72 -37.69 66.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.991 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -50.01 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.665 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.39 -52.07 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.43 ' O ' HG12 ' A' ' 601' ' ' ILE . 66.9 mt -60.18 -48.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.623 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 23.2 t90 -55.78 -41.78 74.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -59.23 -45.65 90.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.214 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.68 95.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.067 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 30.3 mm -65.99 -38.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.623 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 20.6 mt -66.62 -42.04 87.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.068 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.836 ' O ' HG22 ' A' ' 573' ' ' ILE . 1.8 t . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 55.1 p -104.82 158.23 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.349 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.557 HG22 HD12 ' A' ' 562' ' ' LEU . 5.3 mm -65.59 -28.97 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.22 -49.71 79.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -35.21 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.239 0.542 . . . . 0.0 110.008 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.762 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.8 t80 -62.4 -45.64 92.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.504 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 562' ' ' LEU . 17.9 mt -74.06 -41.6 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.14 -37.23 69.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -64.22 -29.82 70.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.3 mt -97.95 -18.09 18.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 87.34 47.24 4.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.641 ' O ' HD13 ' A' ' 553' ' ' LEU . 53.2 m -143.76 42.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 2.6 m -61.26 -29.27 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.38 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.1 m -70.65 -19.77 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.86 -37.03 40.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -52.54 -36.5 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.7 m-85 -70.6 -33.92 71.59 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.915 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.495 ' CD1' HG21 ' A' ' 549' ' ' ILE . 47.5 m-85 -75.29 -48.84 21.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.41 -37.51 83.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -21.61 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.45 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.529 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -108.05 -13.53 14.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.63 0.253 . . . . 0.0 111.363 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.72 10.5 24.81 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -93.97 111.97 23.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.033 0.416 . . . . 0.0 110.691 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 50.9 p -110.04 -38.11 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.2 p -96.53 153.7 17.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.574 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.836 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.3 tt -78.49 -26.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.82 -39.72 78.29 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.922 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.51 -28.44 65.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.77 ' CG2' HD22 ' A' ' 570' ' ' LEU . 20.1 pt -111.42 15.05 8.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.213 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.71 -29.09 24.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -116.69 26.76 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -71.3 141.65 50.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.347 0.594 . . . . 0.0 112.28 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.0 p -100.55 166.91 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.049 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.425 ' HE1' ' HG3' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -58.65 -30.42 67.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -67.39 -52.09 44.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.403 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -58.45 -47.84 82.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.46 -35.1 71.64 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.702 0.763 . . . . 0.0 109.992 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 585' ' ' ALA . . . . . 0.571 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -75.21 -31.85 61.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.762 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.7 t -64.14 -36.77 85.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.098 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.76 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.89 -13.03 61.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.826 178.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 94.1 19.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.115 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -80.65 123.99 82.22 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.791 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 149.91 39.98 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.768 2.312 . . . . 0.0 113.047 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.5 tt0 -56.92 -32.32 65.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.09 -15.63 62.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.415 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -112.61 -48.54 3.0 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.571 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.68 -26.21 43.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.57 0.224 . . . . 0.0 111.353 -179.304 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -50.25 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.32 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.0 110.312 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 589' ' ' ILE . 51.5 mt -60.68 -43.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.213 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.45 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.7 t90 -58.71 -45.71 88.93 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.046 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -55.8 -43.5 76.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.24 97.98 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.746 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.562 HG21 ' O ' ' A' ' 576' ' ' ILE . 19.4 mt -61.7 -41.36 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.336 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.04 -42.99 95.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.905 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.495 ' CB ' HG21 ' A' ' 573' ' ' ILE . 4.1 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.982 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 55.1 p -105.29 153.55 21.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.34 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.832 HG22 HD12 ' A' ' 562' ' ' LEU . 20.7 mm -64.36 -28.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.2 -49.79 81.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 p -78.23 -35.46 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.247 0.546 . . . . 0.0 110.178 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.72 ' CE1' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -61.6 -49.67 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.592 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 562' ' ' LEU . 17.3 mt -73.15 -41.04 64.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.94 -35.58 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -28.44 64.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 552' ' ' PHE . 70.1 mt -92.62 -18.16 23.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.77 44.08 5.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.567 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.502 ' O ' HD13 ' A' ' 553' ' ' LEU . 99.3 m -147.05 43.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 56.0 p -61.26 -28.52 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 87.4 p -62.05 -25.83 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -71.07 -19.99 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.488 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.58 -35.68 54.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.9 m-85 -70.48 -35.02 73.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' A' ' 587' ' ' LEU . 53.3 m-85 -75.31 -48.62 22.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 p -59.33 -44.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 563' ' ' ASP . 30.9 p -57.7 -19.86 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.485 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.782 ' HB3' HD12 ' A' ' 570' ' ' LEU . 9.1 tp-100 -103.66 -13.59 16.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.663 0.268 . . . . 0.0 111.522 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.42 3.98 37.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.984 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.807 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -94.37 115.98 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.4 p -119.86 -24.09 6.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.9 p -107.15 149.39 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.349 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -64.42 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.93 -36.18 69.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.755 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -57.83 -21.86 44.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.3 pt -121.62 15.54 5.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.556 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.22 -26.02 16.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 111.202 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -117.79 25.07 10.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.807 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.8 142.53 44.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.418 0.627 . . . . 0.0 112.472 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 27.5 p -100.55 165.81 11.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.845 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.423 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -58.33 -29.85 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.601 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.86 -51.15 51.54 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.298 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -59.09 -44.78 91.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 110.328 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 1.003 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.0 -35.7 77.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.647 0.736 . . . . 0.0 109.782 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.37 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.837 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.12 98.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.068 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.788 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.86 -19.79 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.883 178.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 15.2 tttm 100.39 20.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.917 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 1.003 HD13 HD23 ' A' ' 584' ' ' LEU . 1.6 mp -78.94 127.12 80.82 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.325 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 589' ' ' ILE . 53.9 Cg_exo -53.32 160.95 4.23 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.84 2.36 . . . . 0.0 112.949 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.2 OUTLIER -72.2 -25.61 61.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.83 -16.63 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -113.57 -34.14 5.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.2 ptp180 -54.88 -38.37 67.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.218 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' HIS . . . . . 0.423 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 0.7 OUTLIER -64.4 -50.07 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.886 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.44 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.403 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 41.0 mt -60.11 -49.46 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.3 t90 -55.01 -41.84 71.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.81 -44.96 93.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.24 -40.3 97.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.178 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.744 HG21 ' O ' ' A' ' 576' ' ' ILE . 38.3 mm -65.14 -46.55 90.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 598' ' ' TRP . 13.5 mt -64.05 -35.55 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.521 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 78.8 p -105.41 154.02 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 562' ' ' LEU . 9.8 mm -64.62 -27.16 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 109.711 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.33 -49.58 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -35.24 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.158 0.504 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -62.04 -50.97 69.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.346 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 562' ' ' LEU . 38.4 mt -71.3 -38.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.25 72.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -28.84 70.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.829 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.35 -18.23 21.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.97 30.85 24.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.695 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.9 p -133.65 41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 p -56.84 -22.56 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 597' ' ' ILE . 32.5 m -74.64 -19.61 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.549 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.72 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.78 -37.69 43.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.569 -179.391 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.56 -37.39 57.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.555 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 33.4 m-85 -70.68 -33.27 70.74 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' A' ' 587' ' ' LEU . 45.4 m-85 -75.15 -48.75 22.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.4 p -60.57 -40.98 93.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.45 -20.98 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.374 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.94 -13.62 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.46 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.58 6.36 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.822 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.848 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -114.6 112.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 7.8 m -118.64 -27.59 5.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.839 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 4.9 p -101.59 146.89 27.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.311 . . . . 0.0 111.425 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.521 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -62.21 -36.97 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.314 0.578 . . . . 0.0 109.667 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.09 -35.58 71.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.914 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -22.09 42.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.789 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.4 pt -124.01 15.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.613 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.471 ' HA ' HG23 ' A' ' 601' ' ' ILE . 26.8 tt0 -50.26 -31.13 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -118.49 27.76 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.177 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.848 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.01 144.54 48.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 0.0 112.302 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.65 162.34 12.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.912 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -55.88 -31.1 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.92 -53.19 34.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.552 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 45.3 m-20 -56.62 -47.57 79.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.042 0.449 . . . . 0.0 110.315 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.93 -35.81 73.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 585' ' ' ALA . . . . . 0.527 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -74.96 -32.44 61.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.986 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.1 t -63.3 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.312 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.718 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.21 -16.15 63.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.179 179.056 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 41.6 tttt 101.53 17.2 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.25 0.62 . . . . 0.0 112.084 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 584' ' ' LEU . 2.4 mp -84.01 122.88 76.09 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 120.071 -0.651 . . . . 0.0 110.043 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 163.73 10.67 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.678 2.252 . . . . 0.0 112.73 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 36.9 tt0 -64.07 -35.72 81.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -67.2 -14.83 63.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.419 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -113.71 -50.22 2.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.527 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.78 -31.71 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.514 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 595' ' ' HIS . . . . . 0.543 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 1.6 t-160 -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 110.779 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.55 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.114 0.483 . . . . 0.0 110.567 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.419 ' O ' HG12 ' A' ' 601' ' ' ILE . 53.9 mt -59.14 -43.13 88.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.326 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.612 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.1 t90 -58.1 -44.84 87.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.269 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -43.04 86.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.146 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.2 -41.9 98.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.959 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 576' ' ' ILE . 31.2 mm -65.57 -44.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.612 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 8.0 mt -60.47 -45.88 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.046 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.481 ' CB ' HG21 ' A' ' 573' ' ' ILE . 11.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.02 0.438 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 59.6 p -105.08 154.46 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.194 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.75 HG21 ' CD1' ' A' ' 565' ' ' PHE . 17.9 mm -64.69 -27.54 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.44 ' HA ' HD13 ' A' ' 562' ' ' LEU . 67.6 t -65.0 -49.75 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 99.6 p -77.2 -37.54 53.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.351 0.596 . . . . 0.0 109.643 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.12 -45.96 91.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.399 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 549' ' ' ILE . 27.7 mt -72.83 -39.14 66.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -54.9 -38.69 67.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -30.41 71.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.642 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.9 mt -91.4 -18.14 24.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.46 41.45 6.91 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 66.6 m -151.15 48.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 65.3 m -60.54 -28.96 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 62.6 p -59.6 -27.03 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.105 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 597' ' ' ILE . 12.3 m -61.0 -19.9 61.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.357 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -53.47 -38.52 63.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.513 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 567' ' ' THR . 63.0 m-20 -52.35 -35.94 52.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 32.6 m-85 -71.32 -34.23 70.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.75 ' CD1' HG21 ' A' ' 549' ' ' ILE . 46.7 m-85 -75.17 -48.7 22.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.1 p -60.69 -41.41 95.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 563' ' ' ASP . 16.5 p -57.18 -20.29 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.692 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.9 tp-100 -106.53 -13.68 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.511 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 104.83 27.96 5.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.684 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.824 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -120.14 119.59 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.81 -24.0 4.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.855 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.4 p -106.6 149.16 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.303 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.1 tt -65.74 -40.2 87.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.166 0.507 . . . . 0.0 109.876 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.93 -38.48 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.97 -21.89 46.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.764 ' CG2' HD22 ' A' ' 570' ' ' LEU . 23.2 pt -122.82 15.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.505 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.537 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.4 tt0 -52.31 -26.61 12.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.219 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.76 26.28 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.824 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.75 143.66 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.431 0.634 . . . . 0.0 112.33 -179.61 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.6 p -100.5 165.95 11.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.98 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.1 mtp -59.16 -29.47 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -67.26 -52.5 40.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.287 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -57.68 -50.45 73.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.124 0.488 . . . . 0.0 110.12 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.63 -36.32 66.87 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.151 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.29 61.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.963 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 m -65.83 -32.78 74.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.195 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.751 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -72.23 -9.75 58.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 95.99 14.9 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.162 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.958 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.62 119.89 76.59 Favored Pre-proline 0 CA--C 1.53 0.208 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.316 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.6 166.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.853 2.369 . . . . 0.0 112.772 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.456 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.1 tt0 -66.29 -44.45 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.175 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.09 -19.62 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.417 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.78 -43.34 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.661 0.267 . . . . 0.0 111.405 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.0 ptp180 -56.56 -33.84 66.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -50.04 72.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.72 65.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.574 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 67.2 mt -58.85 -43.37 88.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.564 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.427 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 16.8 t90 -59.67 -45.51 91.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -42.49 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.477 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.24 94.72 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.207 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.69 HG21 ' O ' ' A' ' 576' ' ' ILE . 34.1 mm -63.97 -33.09 59.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.427 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.0 mt -67.23 -45.42 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.99 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.445 ' HB3' HG21 ' A' ' 573' ' ' ILE . 44.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.027 0.442 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 85.6 p -105.22 154.12 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.065 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.505 HG21 ' CD2' ' A' ' 565' ' ' PHE . 4.2 mm -65.27 -26.0 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 95.0 t -65.89 -49.64 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.91 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 m -77.78 -36.09 50.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.529 . . . . 0.0 109.806 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.925 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.332 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 562' ' ' LEU . 20.8 mt -72.84 -41.36 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.97 -37.59 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.94 -28.97 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.894 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.925 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.3 mt -95.12 -18.13 21.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.19 44.86 6.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.516 ' O ' HD13 ' A' ' 553' ' ' LEU . 23.3 m -147.46 41.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -27.06 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -23.81 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 56.7 m -73.2 -19.87 61.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.436 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.87 -37.48 43.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.657 0.265 . . . . 0.0 111.519 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 2.5 m-20 -52.56 -36.35 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.925 0.393 . . . . 0.0 110.641 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 27.6 m-85 -72.16 -33.16 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.864 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.25 -48.8 21.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.945 0.402 . . . . 0.0 110.743 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.4 p -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.815 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 5.5 p -58.1 -19.42 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.201 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.706 ' HB3' HD12 ' A' ' 570' ' ' LEU . 10.0 tp-100 -106.5 -13.64 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.11 6.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.644 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.827 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -118.6 116.88 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.783 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 6.6 m -122.52 -28.43 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.626 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.3 p -101.09 145.58 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.487 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.9 tt -63.59 -39.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 109.921 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -55.61 -37.49 68.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.71 -23.32 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 43.1 pt -120.9 15.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.451 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.514 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.6 tt0 -51.86 -26.45 10.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.756 0.312 . . . . 0.0 111.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -119.38 27.55 8.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.827 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.89 142.89 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.382 0.61 . . . . 0.0 112.32 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.8 p -100.48 167.98 10.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.993 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -29.87 69.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.04 -51.94 41.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.258 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -58.54 -47.85 82.84 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.062 0.458 . . . . 0.0 110.212 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.93 -34.11 72.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.15 -33.81 61.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.924 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -41.41 97.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.193 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.66 -18.83 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.166 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 22.8 tttp 101.22 19.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.273 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 2.6 mp -85.65 116.16 64.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.27 152.12 55.37 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.984 2.456 . . . . 0.0 113.157 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 9.1 tt0 -50.65 -36.55 36.04 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.274 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -15.05 60.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -119.51 -47.09 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.573 ' HB3' HG22 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -57.13 -31.54 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.565 0.221 . . . . 0.0 111.35 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 595' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 0.8 OUTLIER -65.25 -50.11 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.592 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.46 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.055 0.455 . . . . 0.0 110.431 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 601' ' ' ILE . 70.3 mt -58.69 -45.17 91.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.282 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.425 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 21.5 t90 -57.27 -42.48 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -59.29 -44.15 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.217 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.41 -41.11 98.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.096 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.7 mm -66.3 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.791 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.6 mt -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.504 ' HB3' HG21 ' A' ' 573' ' ' ILE . 80.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.084 0.469 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.7 p -105.4 157.94 16.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.457 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.725 HG22 HD12 ' A' ' 562' ' ' LEU . 12.2 mm -65.65 -27.52 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.15 -49.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 29.5 t -77.17 -38.11 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.689 ' CE2' HD11 ' A' ' 556' ' ' LEU . 0.7 OUTLIER -59.87 -45.83 91.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.418 179.479 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 562' ' ' LEU . 24.4 mt -74.05 -37.92 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.646 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.82 71.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 555' ' ' ARG . 26.4 ttm105 -67.23 -27.12 66.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.689 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.2 mt -99.19 -18.08 17.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 83.45 46.89 5.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.524 ' O ' HD13 ' A' ' 553' ' ' LEU . 94.5 m -144.68 43.38 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -62.25 -28.39 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.0 t -60.23 -22.37 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.9 m -75.73 -19.98 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -51.83 -38.1 54.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.58 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 567' ' ' THR . 0.8 OUTLIER -52.3 -36.67 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.98 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CB ' HG13 ' A' ' 589' ' ' ILE . 56.9 m-85 -71.0 -33.88 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.431 ' CD1' ' CD1' ' A' ' 587' ' ' LEU . 54.8 m-85 -75.34 -48.52 22.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.5 p -60.45 -40.67 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 563' ' ' ASP . 12.6 p -57.56 -21.33 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.713 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.13 -13.56 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.372 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.0 6.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.611 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.792 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -115.53 111.97 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.732 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 -24.28 6.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.654 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.6 p -102.67 144.18 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.297 . . . . 0.0 111.281 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 552' ' ' PHE . 6.7 tt -65.85 -38.31 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.153 0.502 . . . . 0.0 110.072 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.51 -36.08 68.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.552 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -26.46 62.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.706 ' O ' HG21 ' A' ' 601' ' ' ILE . 26.0 pt -116.31 15.19 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -51.73 -26.59 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.71 0.291 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -121.16 27.09 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.792 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -70.26 139.96 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.446 0.641 . . . . 0.0 112.283 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.6 p -100.6 170.07 8.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.156 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.433 ' HG3' ' HD3' ' A' ' 594' ' ' ARG . 2.0 ttm -62.09 -27.72 69.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.54 -49.51 53.73 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.429 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.44 -49.37 75.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.24 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.8 -35.9 71.48 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.643 0.735 . . . . 0.0 109.853 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.31 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.976 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.07 95.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.8 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.2 -15.2 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.546 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 87.96 26.75 0.03 OUTLIER 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.813 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 1.085 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -75.35 127.73 85.7 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.233 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.86 151.47 20.02 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.803 2.335 . . . . 0.0 112.656 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 594' ' ' ARG . 76.2 mt-10 -67.21 -29.72 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -64.03 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.279 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -105.55 -24.45 12.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' A' ' 591' ' ' GLU . 27.1 ttm180 -54.91 -53.99 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -43.51 95.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.42 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.447 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 39.1 mt -62.03 -46.43 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.313 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.149 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -59.95 -43.25 95.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.933 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.5 -40.74 98.15 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.882 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.706 HG21 ' O ' ' A' ' 576' ' ' ILE . 39.1 mm -66.53 -37.43 79.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.396 . . . . 0.0 110.75 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.56 -49.15 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.482 ' HB3' HG21 ' A' ' 573' ' ' ILE . 43.4 t . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.15 0.5 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.7 p -105.4 156.76 17.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.709 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -65.07 -27.93 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.54 -49.93 78.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.6 t -77.53 -37.39 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -60.38 -46.12 91.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.379 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 562' ' ' LEU . 23.9 mt -71.29 -42.91 68.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.1 -34.61 63.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.679 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -71.45 -30.53 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 552' ' ' PHE . 55.8 mt -92.05 -18.04 24.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.47 44.74 5.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.7 m -151.18 47.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 45.2 t -60.87 -28.85 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 3.1 m -62.85 -26.78 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 5.4 m -64.7 -19.78 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.377 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.6 -37.5 63.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.635 0.255 . . . . 0.0 111.336 -179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 567' ' ' THR . 2.8 m-20 -52.45 -35.47 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.752 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 29.5 m-85 -71.96 -34.36 68.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.6 m-85 -75.22 -48.75 21.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 18.3 p -60.87 -41.66 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.71 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 563' ' ' ASP . 9.2 p -57.96 -20.06 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.305 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.639 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.5 tp-100 -105.5 -13.62 15.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 28.06 6.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.61 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.843 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.7 mp -120.7 119.25 32.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.707 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 74.0 p -120.53 -29.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.682 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.8 p -101.65 154.7 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 547' ' ' CYS . 4.8 tt -69.83 -39.5 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -54.06 -38.61 65.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.999 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.33 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.764 ' O ' HG21 ' A' ' 601' ' ' ILE . 48.4 pt -120.62 15.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.59 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 601' ' ' ILE . 3.3 tt0 -51.28 -27.6 9.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.72 0.295 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.48 28.81 7.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.843 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.27 143.04 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.325 0.583 . . . . 0.0 112.372 -179.744 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 30.2 p -100.38 166.62 10.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.03 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.73 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.73 -51.89 43.93 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.285 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.53 -49.97 75.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.142 0.496 . . . . 0.0 110.09 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.963 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.01 -35.22 68.98 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.384 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 585' ' ' ALA . . . . . 0.504 ' HB2' ' NH1' ' A' ' 594' ' ' ARG . . . -75.07 -32.89 61.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.962 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -36.81 85.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.383 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.713 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.31 -15.08 63.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.4 tttt 101.08 16.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.241 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.963 HD13 HD23 ' A' ' 584' ' ' LEU . 2.9 mp -83.88 116.36 64.36 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.076 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.63 160.2 9.84 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.029 2.486 . . . . 0.0 113.308 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.644 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.7 OUTLIER -61.9 -24.51 66.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.203 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.53 -17.47 59.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.786 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -116.32 -42.34 3.04 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.8 ptp180 -54.82 -29.56 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 111.171 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -50.13 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.51 79.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.162 0.506 . . . . 0.0 110.261 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.668 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 70.4 mt -60.2 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.294 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.9 t90 -56.16 -42.36 76.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -59.18 -44.83 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.357 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.18 98.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.189 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.764 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.8 mm -64.9 -35.84 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.48 -44.97 77.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 36.2 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.14 0.495 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 52.5 p -105.2 159.73 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.196 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.744 HG22 HD12 ' A' ' 562' ' ' LEU . 13.4 mm -65.18 -27.8 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.19 -49.74 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.0 m -78.12 -36.83 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.298 0.571 . . . . 0.0 109.935 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.92 -47.7 85.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.547 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 562' ' ' LEU . 29.2 mt -74.15 -38.98 63.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -27.81 65.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 552' ' ' PHE . 7.3 mt -94.94 -18.16 21.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.249 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.18 47.76 4.84 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 553' ' ' LEU . 11.6 m -148.4 43.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -28.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -25.51 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.405 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 8.0 m -69.2 -20.04 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.82 -38.42 61.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.448 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.41 -36.12 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 37.6 m-85 -71.09 -34.15 70.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 549' ' ' ILE . 49.0 m-85 -75.23 -48.61 22.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 p -60.49 -41.15 93.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.9 p -57.23 -20.7 28.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.673 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.2 OUTLIER -106.15 -13.47 15.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.355 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.0 27.98 5.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.597 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.797 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -118.23 115.88 25.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.758 0.314 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -29.75 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.635 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -101.24 150.91 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.288 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 552' ' ' PHE . 5.7 tt -66.22 -40.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.418 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 21.4 m-85 -54.37 -35.73 63.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.794 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -25.79 61.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.758 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.9 pt -117.2 15.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.498 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -50.53 -26.79 5.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.674 0.273 . . . . 0.0 111.386 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -119.71 27.73 8.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.797 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.92 142.44 44.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 112.494 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.8 p -100.69 168.46 9.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.89 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.417 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -61.71 -29.28 69.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.5 -52.79 34.94 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.29 -45.86 83.72 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.158 0.504 . . . . 0.0 110.274 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 1.057 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.51 -36.93 77.01 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.078 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -43.02 99.55 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.2 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.43 -18.88 62.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.026 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 11.5 tttm 99.48 19.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.932 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 1.057 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -77.68 126.06 84.92 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.079 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.42 149.03 24.46 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.855 2.37 . . . . 0.0 112.623 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -30.24 70.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -69.97 -17.79 63.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.387 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -116.39 -35.39 4.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 584' ' ' LEU . 3.7 ptp180 -57.14 -36.85 71.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.22 -49.8 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.468 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.45 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.088 0.471 . . . . 0.0 110.412 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 601' ' ' ILE . 29.4 mt -61.22 -47.74 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.109 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.5 t90 -57.01 -42.11 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -59.76 -43.69 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.24 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.52 -41.7 98.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.012 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.758 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.6 mm -64.03 -47.94 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 13.2 mt -58.42 -44.52 89.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 573' ' ' ILE . 35.4 m . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.962 0.41 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.5 p -105.24 153.19 21.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 562' ' ' LEU . 14.6 mm -63.65 -27.75 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.96 -49.78 80.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.5 m -78.23 -36.07 47.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.194 0.521 . . . . 0.0 109.889 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.31 -45.72 93.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.43 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 562' ' ' LEU . 25.1 mt -74.05 -41.08 62.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.53 67.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.42 -28.68 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.743 HD11 ' CE2' ' A' ' 552' ' ' PHE . 30.2 mt -93.3 -18.08 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.56 43.47 6.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.614 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.451 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.8 m -146.92 45.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 86.8 p -61.57 -29.79 70.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 83.4 p -59.81 -23.88 63.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.4 m -71.22 -19.93 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.523 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.36 -38.32 63.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 111.476 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 567' ' ' THR . 1.8 m-20 -52.52 -35.56 53.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 36.2 m-85 -71.76 -34.11 69.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 587' ' ' LEU . 49.1 m-85 -75.3 -48.86 21.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.0 p -60.82 -42.22 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 563' ' ' ASP . 8.9 p -58.17 -19.51 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.702 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.88 -13.49 15.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.702 0.287 . . . . 0.0 111.477 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.81 28.03 6.1 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.645 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.829 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -119.75 115.83 24.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 71.6 p -121.65 -22.85 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.813 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -107.52 147.54 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.2 tt -65.37 -40.12 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -54.26 -38.17 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.732 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -23.19 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.004 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.75 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.0 pt -120.78 15.27 6.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.508 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.99 -27.25 5.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.4 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -120.49 29.9 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.829 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.83 142.78 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 112.353 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.5 p -100.42 167.59 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.049 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 7.6 ttm -60.33 -29.46 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -52.05 40.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.316 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.6 -48.19 81.78 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.3 -36.31 73.13 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.253 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.12 -31.77 61.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.059 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.4 t -63.43 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.209 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.729 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -66.37 -15.4 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.117 179.03 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 39.7 tttt 99.04 18.48 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.138 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -82.22 122.98 79.76 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.33 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.81 161.63 4.44 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.87 2.38 . . . . 0.0 112.831 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 45.9 mt-10 -66.93 -39.81 87.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.45 -15.49 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.552 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -113.34 -40.06 3.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.433 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.1 ptp180 -56.74 -35.65 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.147 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.89 -50.02 65.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.86 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.163 0.506 . . . . 0.0 110.589 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.409 ' O ' HG12 ' A' ' 601' ' ' ILE . 40.8 mt -59.56 -46.84 92.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.324 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.603 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.3 t90 -55.44 -44.22 76.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.413 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -42.65 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.183 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.98 98.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.136 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.7 mm -66.05 -40.72 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.603 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.2 mt -67.23 -41.73 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 46.1 t . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.135 0.493 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -105.23 159.93 15.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.199 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.776 HG22 HD12 ' A' ' 562' ' ' LEU . 15.4 mm -65.02 -28.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.65 -49.78 80.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 48.1 t -78.14 -35.96 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.169 0.509 . . . . 0.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.529 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.1 t80 -61.69 -46.52 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.503 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 558' ' ' CYS . 16.1 mt -74.14 -40.93 62.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.22 68.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.61 -29.09 69.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 552' ' ' PHE . 16.4 mt -95.23 -18.1 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.98 45.39 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.664 ' O ' HD13 ' A' ' 553' ' ' LEU . 92.8 m -146.02 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 22.3 p -62.03 -28.07 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.3 t -60.42 -23.38 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -73.95 -19.9 60.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.468 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -51.27 -38.36 52.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.446 -179.606 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.6 -36.15 55.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.7 m-85 -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.439 ' CD2' HG21 ' A' ' 549' ' ' ILE . 45.5 m-85 -75.37 -48.82 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 16.8 p -60.3 -41.7 93.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 563' ' ' ASP . 13.9 p -56.03 -20.52 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.674 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.524 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -107.71 -13.64 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.593 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.7 27.98 5.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.455 -0.878 . . . . 0.0 113.278 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.815 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -118.01 111.94 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.549 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.33 -28.64 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.7 p -102.53 149.08 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.245 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.495 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.3 tt -63.41 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.347 0.594 . . . . 0.0 109.668 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 38.7 m-85 -55.79 -35.58 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.989 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -22.22 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.804 ' CG2' HD22 ' A' ' 570' ' ' LEU . 32.2 pt -123.6 15.42 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.505 ' HA ' HG23 ' A' ' 601' ' ' ILE . 29.2 tt0 -50.75 -26.57 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.721 0.296 . . . . 0.0 111.367 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -118.68 27.37 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.214 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.815 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.05 142.92 45.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.315 0.579 . . . . 0.0 112.522 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.1 p -100.61 168.81 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.899 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.49 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.22 -51.96 46.93 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.456 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.84 -47.41 82.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.077 0.465 . . . . 0.0 110.262 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.38 -35.06 73.22 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.245 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 585' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.09 -33.34 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.858 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -41.51 97.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.195 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.796 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.27 -19.2 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.943 178.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 6.8 tmtt? 98.81 20.7 0.01 OUTLIER 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.972 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.992 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.94 125.74 81.32 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.183 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.94 147.75 61.23 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.685 2.257 . . . . 0.0 112.829 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 21.0 mt-10 -56.64 -27.26 58.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -16.1 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.628 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -112.37 -47.05 3.12 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -54.91 -29.27 55.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.586 0.231 . . . . 0.0 111.297 -179.545 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -50.25 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.722 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.94 71.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 601' ' ' ILE . 47.4 mt -59.94 -45.13 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 20.0 t90 -57.06 -46.13 82.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.252 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -56.95 -42.29 79.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.15 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.87 99.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.045 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.752 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.4 mm -66.0 -41.78 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.22 -49.05 78.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.976 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.47 ' HB3' HG21 ' A' ' 573' ' ' ILE . 92.0 m . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.109 0.48 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 77.9 p -105.3 155.89 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.836 HG22 HD12 ' A' ' 562' ' ' LEU . 20.9 mm -63.14 -29.39 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.52 -49.84 78.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.174 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 30.4 t -78.2 -33.2 50.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.3 t80 -64.56 -45.43 87.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.474 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 562' ' ' LEU . 19.4 mt -74.01 -41.67 61.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.669 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.18 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 552' ' ' PHE . 5.4 mt -99.61 -18.13 17.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.96 50.61 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.564 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 553' ' ' LEU . 65.1 m -149.31 41.44 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 12.0 m -61.4 -29.17 69.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 25.1 p -61.22 -25.15 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.3 m -73.77 -19.85 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.426 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.75 -37.15 49.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.629 -179.505 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 567' ' ' THR . 3.4 m-20 -52.41 -36.61 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.81 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 36.3 m-85 -70.67 -34.24 71.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 587' ' ' LEU . 45.6 m-85 -75.42 -48.63 21.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.15 -37.91 84.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.2 p -56.47 -21.49 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.399 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.424 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.18 -13.71 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.637 0.256 . . . . 0.0 111.539 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.92 29.01 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.397 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.895 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -93.66 111.93 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.128 0.464 . . . . 0.0 110.712 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.9 m -115.06 -23.21 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -108.63 150.82 26.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.16 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.216 0.531 . . . . 0.0 109.622 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -55.04 -39.02 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.732 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -57.92 -23.57 53.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.895 HG22 HD22 ' A' ' 570' ' ' LEU . 29.8 pt -121.8 15.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.617 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.487 ' HA ' HG23 ' A' ' 601' ' ' ILE . 9.5 tt0 -50.31 -25.54 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.407 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 29.69 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.288 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.722 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.52 139.9 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.518 0.675 . . . . 0.0 112.683 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 38.6 p -100.67 174.12 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.021 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -27.56 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.58 -50.35 45.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.624 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.9 -48.64 80.88 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 110.17 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -58.11 -37.04 73.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.14 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.44 60.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.119 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 26.6 t -61.18 -43.18 99.29 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.272 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 1.0 OUTLIER -64.73 -15.5 61.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.101 178.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 4.5 ttmm 92.04 25.2 0.02 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.788 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -77.21 129.37 78.21 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.311 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.89 153.94 10.87 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.756 2.304 . . . . 0.0 112.816 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -67.7 -30.0 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.12 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -71.14 -17.02 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -113.9 -35.24 5.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.33 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.9 ptp180 -54.91 -40.5 69.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.92 -48.39 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.382 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -54.77 -42.98 72.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.75 -43.79 94.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.09 -41.3 98.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 576' ' ' ILE . 41.2 mm -65.07 -38.84 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.397 . . . . 0.0 110.888 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.88 -44.28 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 -179.885 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.896 ' O ' HG22 ' A' ' 573' ' ' ILE . 34.9 m . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.136 0.493 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -102.06 156.38 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.273 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 562' ' ' LEU . 4.2 mm -65.33 -28.8 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.95 -49.77 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 68.3 p -77.98 -37.41 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.276 0.56 . . . . 0.0 109.854 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.792 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.6 t80 -60.14 -46.01 91.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.409 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 562' ' ' LEU . 24.5 mt -74.06 -38.76 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.48 69.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -68.58 -28.05 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.792 HD11 ' CE2' ' A' ' 552' ' ' PHE . 6.4 mt -95.8 -18.17 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.73 7.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.602 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.532 ' O ' HD13 ' A' ' 553' ' ' LEU . 61.0 m -143.24 42.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -28.11 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.1 t -60.1 -22.35 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 74.4 m -75.3 -19.64 59.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.507 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.96 -38.86 53.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.409 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 567' ' ' THR . 56.6 m-20 -52.46 -37.07 56.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.5 m-85 -70.9 -33.37 70.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CD2' ' CD1' ' A' ' 587' ' ' LEU . 49.2 m-85 -75.32 -48.81 21.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.1 p -61.66 -38.02 86.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.732 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.3 p -56.24 -21.72 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.408 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.87 -13.65 15.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 111.409 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.32 14.88 15.19 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.816 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.6 OUTLIER -102.11 111.85 24.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.687 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 3.2 p -112.07 -33.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.7 p -99.02 150.55 21.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.896 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.5 tt -72.47 -29.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 109.926 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.51 -35.92 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.34 -24.48 63.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 570' ' ' LEU . 30.9 pt -117.67 15.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.522 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.6 ' HA ' HG23 ' A' ' 601' ' ' ILE . 6.5 tt0 -51.18 -25.69 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.253 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -119.07 30.26 7.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.816 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.69 142.83 42.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.426 0.631 . . . . 0.0 112.565 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.1 p -100.55 170.5 8.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.819 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.44 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 6.3 ttm -62.93 -28.1 69.83 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -51.61 38.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -59.46 -48.02 83.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.174 0.511 . . . . 0.0 110.186 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.81 -35.86 73.54 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.16 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.13 -32.27 61.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 8.4 t -61.08 -43.14 99.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.226 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -62.03 -19.64 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.954 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 ttmm 100.37 20.15 0.0 OUTLIER 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.9 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.98 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -79.88 125.07 82.83 Favored Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.914 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 164.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.729 2.286 . . . . 0.0 113.028 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.5 OUTLIER -67.12 -29.14 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.8 -22.98 55.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.15 -42.66 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.493 ' CA ' HD13 ' A' ' 584' ' ' LEU . 8.2 ptp180 -56.78 -37.56 71.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.2 -50.22 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.08 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.115 0.483 . . . . 0.0 110.541 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.453 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 72.5 mt -59.01 -46.79 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.288 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.3 t90 -55.19 -43.84 74.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -58.3 -44.4 88.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.033 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.74 95.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.972 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.7 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.1 mm -67.0 -41.49 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.422 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.9 mt -58.74 -48.99 79.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.514 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.028 0.442 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.1 p -105.16 153.02 22.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.287 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.716 HG22 HD12 ' A' ' 562' ' ' LEU . 21.8 mm -64.28 -28.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.715 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.26 -49.81 79.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.4 m -78.16 -36.18 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.325 0.584 . . . . 0.0 109.911 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.5 t80 -61.5 -46.59 89.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.502 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 562' ' ' LEU . 23.7 mt -74.08 -39.58 63.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.93 -37.81 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -28.61 68.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.786 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.5 mt -94.88 -18.14 21.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.61 47.24 5.19 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 60.2 m -146.07 44.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -31.16 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -62.98 -26.0 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -70.9 -19.87 62.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.17 -38.74 53.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 111.478 -179.581 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.44 -39.22 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 27.9 m-85 -66.52 -34.55 78.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.747 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.0 m-85 -75.44 -48.23 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 p -58.94 -37.92 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -24.83 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.329 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HG3' HD22 ' A' ' 587' ' ' LEU . 7.1 mm100 -101.17 -13.98 17.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.477 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.11 3.92 38.71 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.03 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.935 HD22 HG22 ' A' ' 576' ' ' ILE . 0.3 OUTLIER -86.72 111.9 21.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.953 0.377 . . . . 0.0 110.508 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 68.4 p -112.79 -27.73 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 5.1 p -107.15 150.62 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.277 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.0 tt -61.82 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.366 0.603 . . . . 0.0 109.502 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.35 -36.88 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.831 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -21.72 42.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.935 HG22 HD22 ' A' ' 570' ' ' LEU . 21.9 pt -123.57 15.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.462 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -50.59 -29.73 11.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.407 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -115.23 24.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.796 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.4 142.14 48.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 112.256 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 34.0 p -100.51 169.29 9.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.035 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.5 mtp -60.99 -29.89 69.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -53.35 31.12 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.254 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 46.1 m-20 -56.87 -50.21 73.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.032 0.444 . . . . 0.0 109.997 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.93 -35.85 67.08 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.17 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -32.16 61.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 10.4 p -65.04 -34.42 78.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -69.05 -13.68 62.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.166 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 tmtt? 98.05 17.08 0.01 OUTLIER 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.89 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.974 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -83.04 120.52 76.17 Favored Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.391 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.99 160.81 9.54 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.84 2.36 . . . . 0.0 112.83 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -65.54 -30.69 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -17.14 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -113.67 -34.21 5.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 111.257 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 5.9 ptp180 -61.04 -33.28 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.99 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -50.11 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.0 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.619 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 45.0 mt -59.73 -47.41 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.526 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.562 ' CH2' HD11 ' A' ' 602' ' ' LEU . 11.4 t90 -57.86 -39.65 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.458 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -47.06 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.393 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.82 98.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.236 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 552' ' ' PHE . 28.4 mm -66.26 -36.19 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.562 HD11 ' CH2' ' A' ' 598' ' ' TRP . 19.9 mt -65.73 -45.34 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.528 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.1 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.085 0.469 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 68.5 p -105.29 152.49 22.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.034 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 553' ' ' LEU . 20.0 mm -63.95 -26.84 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.441 ' HA ' HD13 ' A' ' 562' ' ' LEU . 81.1 t -65.29 -49.82 76.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 37.3 t -78.18 -36.81 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.295 0.569 . . . . 0.0 109.806 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.849 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.1 t80 -60.02 -48.4 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 549' ' ' ILE . 36.6 mt -73.97 -38.64 64.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.27 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.849 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.6 mt -96.08 -18.25 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.46 47.65 5.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.436 ' O ' HD13 ' A' ' 553' ' ' LEU . 14.0 m -146.53 41.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -28.68 69.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -25.34 67.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 64.3 m -71.59 -19.89 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.42 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -52.33 -37.72 56.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.481 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 49.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 110.716 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 25.2 m-85 -71.65 -33.7 69.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.589 ' CD1' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.36 -48.75 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 p -61.44 -41.33 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 6.6 p -57.98 -18.94 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.332 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.756 ' HB3' HD12 ' A' ' 570' ' ' LEU . 5.0 tp-100 -106.91 -13.66 15.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.683 0.278 . . . . 0.0 111.456 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 21.5 9.65 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.934 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -110.27 112.64 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.654 0.264 . . . . 0.0 110.387 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.08 -27.9 6.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.869 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 15.8 p -102.18 150.3 23.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 111.493 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.7 tt -64.22 -36.0 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.353 178.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -59.38 -35.84 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.939 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -57.57 -22.2 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.775 ' O ' HG21 ' A' ' 601' ' ' ILE . 31.9 pt -123.56 15.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.538 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.536 ' HA ' HG23 ' A' ' 601' ' ' ILE . 10.5 tp10 -50.6 -31.25 15.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 111.342 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -116.72 27.38 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.08 143.31 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.39 0.614 . . . . 0.0 112.279 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.4 p -100.6 163.96 12.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.87 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.64 63.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -67.66 -52.65 35.45 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.381 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.89 -46.46 84.88 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.134 0.493 . . . . 0.0 110.207 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.971 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.92 -34.62 73.46 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.995 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.08 -32.54 61.5 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.839 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -40.63 96.98 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.209 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -63.79 -17.15 62.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.056 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 100.11 19.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.175 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.971 HD13 HD23 ' A' ' 584' ' ' LEU . 2.2 mp -83.71 119.84 74.28 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.082 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.2 166.35 4.43 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.85 2.367 . . . . 0.0 112.891 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.4 mp0 -64.63 -39.92 94.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -14.86 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.634 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.39 -50.22 2.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 3.8 ptm180 -54.93 -28.36 50.45 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -50.16 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.667 0.27 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.13 71.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.139 0.495 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.418 ' O ' HG12 ' A' ' 601' ' ' ILE . 50.3 mt -60.04 -44.75 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.384 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 602' ' ' LEU . 31.1 t90 -55.88 -46.4 78.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -58.97 -43.03 91.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.335 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.52 96.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.117 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.775 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.3 mm -65.49 -39.48 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.713 HD11 ' CE2' ' A' ' 598' ' ' TRP . 5.8 mt -61.54 -42.13 98.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 573' ' ' ILE . 71.2 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.197 0.523 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 74.7 p -105.0 154.6 19.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.147 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -63.51 -26.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.108 0.48 . . . . 0.0 109.874 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.434 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -67.26 -49.99 67.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.157 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 9.1 t -78.14 -32.5 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.97 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.561 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.7 t80 -64.77 -47.29 78.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.658 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -74.03 -39.39 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.591 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.37 74.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.78 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 553' ' ' LEU . 2.8 mt -92.2 -18.07 23.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 89.6 22.82 35.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.747 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.66 50.61 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -28.34 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 9.1 m -58.04 -22.08 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.43 -19.79 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.481 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.98 -36.43 38.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.622 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 567' ' ' THR . 1.0 OUTLIER -52.47 -40.19 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.93 -33.27 75.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.4 m-85 -75.44 -48.28 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 p -58.88 -38.98 80.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 563' ' ' ASP . 28.9 p -55.82 -23.79 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.384 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -103.23 -13.82 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 111.244 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.43 3.82 40.73 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.846 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -83.82 111.9 19.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.2 m -112.05 -28.38 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -109.46 152.91 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.561 HD12 ' CG ' ' A' ' 552' ' ' PHE . 6.7 tt -70.11 -34.98 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -53.59 -40.26 65.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.69 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.671 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.827 ' CG2' HD22 ' A' ' 570' ' ' LEU . 22.2 pt -116.08 15.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.31 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.38 -32.47 11.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.651 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -116.27 29.79 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.96 143.52 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.368 0.604 . . . . 0.0 112.376 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.7 p -100.37 166.54 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.182 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.467 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -59.4 -29.8 67.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.82 -52.4 44.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.237 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 41.5 m-20 -58.68 -52.33 66.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -54.48 -35.36 63.0 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.657 0.742 . . . . 0.0 110.306 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.96 61.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.863 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.7 t -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.109 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.46 -16.57 63.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.917 178.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 2.9 ttmm 100.11 16.37 0.01 OUTLIER 'General case' 0 C--N 1.339 0.133 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.87 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.932 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -81.62 124.18 80.09 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.21 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.65 164.61 2.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.004 2.469 . . . . 0.0 113.175 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -70.14 -32.78 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.57 -20.19 61.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -107.17 -39.3 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 111.403 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.2 ptp180 -54.88 -33.95 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.199 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 595' ' ' HIS . . . . . 0.467 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 0.3 OUTLIER -64.93 -49.97 68.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.749 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.16 73.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.596 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.533 HD12 HG21 ' A' ' 589' ' ' ILE . 72.6 mt -59.83 -46.13 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.518 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.475 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.5 t90 -58.34 -44.91 88.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.31 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.079 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.39 96.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.04 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.741 HG21 ' O ' ' A' ' 576' ' ' ILE . 17.6 mt -60.3 -52.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 598' ' ' TRP . 15.5 mt -60.26 -41.04 92.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 51.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.169 0.509 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.1 p -105.22 160.14 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.097 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.81 HG22 HD12 ' A' ' 562' ' ' LEU . 13.6 mm -66.0 -28.85 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 109.766 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.06 -49.59 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.8 p -78.18 -36.57 47.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.561 . . . . 0.0 110.034 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 556' ' ' LEU . 4.8 t80 -61.21 -50.3 73.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.797 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 562' ' ' LEU . 21.5 mt -73.69 -41.06 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.58 -36.56 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -28.46 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 552' ' ' PHE . 9.8 mt -94.21 -18.06 22.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.246 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.66 46.91 5.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 553' ' ' LEU . 86.8 m -143.68 40.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 50.5 p -60.53 -30.34 69.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -26.59 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.3 m -73.21 -19.86 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.309 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.81 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -51.31 -37.24 46.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.537 -179.592 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -52.47 -38.56 59.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.1 m-85 -67.59 -34.45 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 553' ' ' LEU . 47.4 m-85 -75.52 -48.48 22.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.6 -34.83 74.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -22.54 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.569 ' HG3' HD22 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -106.45 -13.79 15.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 109.13 3.83 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.588 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.809 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -85.31 111.81 20.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.65 -28.44 6.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.5 p -102.8 150.08 23.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.9 tt -62.9 -39.22 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 109.783 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.29 -35.93 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -57.92 -21.82 45.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.809 HG22 HD22 ' A' ' 570' ' ' LEU . 31.3 pt -122.66 15.31 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.471 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.464 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.7 tt0 -52.06 -25.85 9.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.739 0.304 . . . . 0.0 111.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -117.19 25.66 10.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.219 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.785 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.72 140.8 48.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.454 0.645 . . . . 0.0 112.461 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 41.2 p -100.72 171.56 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.935 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -29.54 70.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -52.14 38.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.485 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.17 -48.56 79.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 110.239 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 1.051 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -59.29 -35.0 72.96 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.289 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.05 -33.33 61.71 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.992 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.101 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -61.47 -19.94 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 19.3 ttmt 98.1 23.13 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.911 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 1.051 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -80.83 125.99 78.84 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.37 145.54 78.04 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.636 2.224 . . . . 0.0 112.843 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 3.8 mt-10 -55.24 -23.39 22.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.36 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.16 -15.85 58.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.654 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.91 -46.54 3.11 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.0 -29.31 57.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.575 0.226 . . . . 0.0 111.281 -179.491 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -50.24 60.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.45 75.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 0.0 110.24 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 601' ' ' ILE . 25.6 mt -59.69 -45.81 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.098 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.772 ' CE2' HD11 ' A' ' 602' ' ' LEU . 26.2 t90 -55.86 -45.61 78.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.07 83.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.182 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.86 -38.96 96.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.218 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.703 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.0 mm -68.17 -37.96 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 598' ' ' TRP . 3.3 mt -66.44 -48.86 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.028 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.522 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.045 0.45 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 64.8 p -105.31 154.82 19.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.314 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -64.5 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.672 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.405 ' HA ' HD13 ' A' ' 562' ' ' LEU . 60.9 t -65.08 -49.64 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -36.11 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.304 0.573 . . . . 0.0 109.785 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.2 t80 -62.06 -45.51 93.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.425 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 562' ' ' LEU . 18.5 mt -71.73 -40.98 69.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.12 70.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.7 -29.17 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 552' ' ' PHE . 3.5 mt -98.43 -18.12 18.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.71 48.93 4.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.567 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 558' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 553' ' ' LEU . 34.0 m -148.44 45.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 4.7 m -60.55 -29.58 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 8.2 m -62.83 -26.78 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -69.77 -19.82 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.415 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.08 -37.58 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.598 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.46 -37.32 56.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 31.1 m-85 -68.79 -34.62 75.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.728 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.5 m-85 -75.68 -48.45 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.85 -36.12 78.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -22.15 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.648 ' HG3' HD22 ' A' ' 587' ' ' LEU . 3.2 mm100 -106.46 -13.9 15.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.336 . . . . 0.0 111.369 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.64 3.77 32.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.868 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -84.8 111.87 20.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.523 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 69.1 p -115.35 -27.17 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.14 146.81 28.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.522 HG21 ' CB ' ' A' ' 547' ' ' CYS . 8.1 tt -60.84 -36.93 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 109.726 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.96 -33.9 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.24 44.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.802 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.7 pt -123.98 15.19 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.589 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.452 ' HA ' HG23 ' A' ' 601' ' ' ILE . 22.7 tt0 -50.66 -26.57 5.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 111.467 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -118.81 29.45 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.82 140.96 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.376 0.608 . . . . 0.0 112.473 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.5 p -100.37 171.77 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.062 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 581' ' ' MET . . . . . 0.425 ' HE3' ' HB2' ' A' ' 581' ' ' MET . 0.0 OUTLIER -62.41 -29.04 70.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -51.21 42.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -59.58 -47.39 85.76 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 110.142 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 1.018 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.11 -35.93 74.28 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.132 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.37 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.945 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 34.5 t -61.74 -42.0 98.39 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.823 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.9 -18.67 63.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.906 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.1 tttm 97.73 21.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.812 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 1.018 HD13 HD23 ' A' ' 584' ' ' LEU . 1.5 mp -78.93 125.79 83.33 Favored Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.317 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.54 159.69 6.13 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.792 2.328 . . . . 0.0 113.009 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.0 tt0 -67.62 -28.78 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -18.43 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.471 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.18 -34.94 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 111.327 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.9 ptp180 -54.88 -38.98 68.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.334 . . . . 0.0 111.085 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -50.07 66.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -59.5 -52.02 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.099 0.476 . . . . 0.0 110.597 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.728 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 63.7 mt -59.78 -49.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.263 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 20.9 t90 -55.8 -41.35 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.368 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -59.71 -43.19 94.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.28 -42.19 99.71 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.12 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.0 mm -63.27 -42.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 15.8 mt -67.97 -44.26 77.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 573' ' ' ILE . 8.9 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.15 0.5 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.5 p -105.38 154.34 20.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.112 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.771 HG22 HD12 ' A' ' 562' ' ' LEU . 21.2 mm -63.67 -28.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' VAL . . . . . 0.409 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -63.77 -49.81 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.1 m -78.12 -36.59 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.3 t80 -60.69 -46.76 89.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.429 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -73.98 -39.35 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.47 -37.16 67.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -30.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.709 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 556' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 552' ' ' PHE . 8.1 mt -92.08 -18.15 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.82 41.83 7.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.0 m -141.2 45.89 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 34.2 t -59.86 -30.17 68.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.7 t -62.78 -27.81 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 3.3 m -67.2 -19.9 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.366 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -54.21 -36.48 63.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.655 0.264 . . . . 0.0 111.374 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 567' ' ' THR . 4.3 m-20 -52.47 -36.51 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 35.5 m-85 -70.55 -33.98 71.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.817 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 587' ' ' LEU . 52.0 m-85 -75.27 -48.57 22.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.4 p -60.01 -42.82 95.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 563' ' ' ASP . 27.5 p -58.1 -20.02 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -105.0 -13.6 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.64 0.257 . . . . 0.0 111.408 -179.78 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.22 28.13 6.6 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.851 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.851 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -117.8 113.44 21.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.1 p -118.54 -24.91 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.854 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.88 148.33 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.416 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 573' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.8 tt -64.33 -38.39 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 109.658 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -55.63 -37.14 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.779 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.19 45.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 576' ' ' ILE . . . . . 0.756 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.2 pt -123.98 15.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.649 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' GLU . . . . . 0.48 ' HA ' HG23 ' A' ' 601' ' ' ILE . 40.9 tp10 -50.16 -30.41 11.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -119.76 29.92 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 579' ' ' TYR . . . . . 0.851 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.4 144.45 46.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 112.409 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.56 165.79 11.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.999 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -30.03 68.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.95 -52.95 36.65 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 583' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 40.0 m-20 -57.49 -50.27 73.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.062 0.458 . . . . 0.0 110.187 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -56.19 -35.91 67.8 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.111 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.01 61.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.005 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -36.22 83.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.223 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.7 OUTLIER -68.7 -12.43 61.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.261 178.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 588' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 1.3 tptt 97.0 17.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.157 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 589' ' ' ILE . . . . . 0.983 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.75 124.89 79.18 Favored Pre-proline 0 CA--C 1.531 0.242 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.022 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.01 166.68 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.838 2.358 . . . . 0.0 113.128 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 11.2 tt0 -72.65 -27.47 62.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.193 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -77.85 -23.52 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.57 -41.45 6.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' ARG . . . . . 0.5 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.7 ptp180 -55.56 -32.39 62.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -50.08 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.43 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.204 0.526 . . . . 0.0 110.474 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' ILE . . . . . 0.46 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 65.7 mt -59.77 -48.26 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 18.2 t90 -55.94 -42.13 75.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -44.88 92.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.56 97.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.14 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' ILE . . . . . 0.756 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.2 mm -66.81 -46.55 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 10.9 mt -58.92 -42.96 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.622 -0.191 . . . . 0.0 112.622 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 46.2 m 60.43 80.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 60.96 156.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.29 142.21 45.04 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.87 175.8 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -78.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.481 ' HB3' HG21 ' A' ' 573' ' ' ILE . 63.1 m -97.15 122.49 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 p -105.28 155.53 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.271 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.684 HG22 HD12 ' A' ' 562' ' ' LEU . 20.1 mm -64.11 -27.86 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 79.2 t -64.58 -49.66 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -77.87 -36.21 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.345 0.593 . . . . 0.0 109.801 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.8 t80 -61.36 -45.98 92.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.412 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.625 HD12 HD12 ' A' ' 562' ' ' LEU . 30.6 mt -74.06 -38.5 63.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.56 -39.65 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.781 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -65.03 -29.34 70.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.728 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.9 mt -93.55 -18.24 22.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.94 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 82.1 m -151.17 45.07 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.5 m -61.18 -27.22 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -62.78 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.215 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.62 -19.76 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.411 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.97 -37.91 47.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 111.534 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 567' ' ' THR . 6.0 m-20 -52.47 -37.07 56.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 588' ' ' LYS . 37.8 m-85 -70.48 -33.72 71.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CD1' HG21 ' A' ' 549' ' ' ILE . 44.5 m-85 -75.38 -48.83 21.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.5 p -60.98 -39.52 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 563' ' ' ASP . 4.5 p -55.72 -20.82 15.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.551 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 570' ' ' LEU . 2.7 tp-100 -109.35 -13.7 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.412 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 107.9 28.21 4.83 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.622 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.857 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.0 OUTLIER -118.48 114.92 23.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.022 0.411 . . . . 0.0 110.767 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 4.6 p -118.52 -22.05 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.559 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.6 p -108.94 147.86 31.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.726 0.298 . . . . 0.0 111.321 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 547' ' ' CYS . 8.0 tt -62.4 -38.68 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.329 0.585 . . . . 0.0 109.83 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -56.69 -36.67 69.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -22.12 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.771 ' CG2' HD22 ' A' ' 570' ' ' LEU . 28.6 pt -123.98 15.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.426 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.459 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.8 tt0 -49.86 -28.75 6.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.506 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -118.62 29.04 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.185 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.857 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.25 143.75 42.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.464 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 48.0 p -100.37 165.64 11.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.017 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 6.3 ttm -59.49 -28.71 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -52.19 36.0 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.431 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 38.3 m-20 -58.32 -46.89 85.32 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.033 0.444 . . . . 0.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.959 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.01 -36.54 75.1 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.161 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.038 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 t -62.41 -40.26 95.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.761 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -63.84 -17.59 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.287 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 5.6 ttmt 101.16 17.28 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.925 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.82 124.21 83.46 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.087 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.84 161.6 4.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.797 2.331 . . . . 0.0 113.028 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.466 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.3 tp10 -67.83 -31.6 71.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.75 -20.83 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -107.39 -40.02 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.286 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' A' ' 584' ' ' LEU . 8.6 ptp180 -55.37 -36.53 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.17 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.94 -51.77 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.369 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.533 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 68.3 mt -59.1 -47.8 88.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.349 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -56.54 -41.0 76.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -59.76 -44.35 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.123 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.96 -41.4 99.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.147 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.0 mm -64.49 -43.33 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.22 -44.49 95.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.65 -31.69 68.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -75.44 -30.46 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -73.81 -31.31 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -33.05 74.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.12 -36.01 76.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -82.01 -31.27 31.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -139.69 107.55 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -83.89 168.94 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.92 140.58 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 9.2 t -159.37 137.05 7.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.63 125.87 9.19 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.552 2.168 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 12.8 m 59.2 82.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -157.29 -64.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.93 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.85 -179.46 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -157.29 163.07 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 32.1 p -104.61 89.78 2.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.84 158.4 58.02 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 4.9 m -127.58 78.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.935 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.3 m -158.63 131.28 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' TYR . . . . . 0.506 ' N ' ' HD2' ' A' ' 544' ' ' PRO . 13.5 m-85 -72.75 -49.03 8.33 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 543' ' ' TYR . 73.1 Cg_endo -75.91 113.99 3.83 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.224 1.949 . . . . 0.0 112.379 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.79 179.79 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.748 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.94 135.51 53.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.509 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m -82.21 138.57 34.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 0.0 110.753 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.26 152.19 23.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.264 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -63.79 -26.92 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.56 -49.69 79.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.07 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.235 0.54 . . . . 0.0 109.777 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.651 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.0 OUTLIER -61.85 -45.45 93.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.363 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 562' ' ' LEU . 26.2 mt -74.11 -39.31 63.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.562 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.99 71.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.19 -28.73 69.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.651 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.7 mt -97.52 -18.15 19.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.17 48.42 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.521 ' O ' HD13 ' A' ' 553' ' ' LEU . 97.3 m -148.41 44.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -27.69 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -23.31 66.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.6 m -72.11 -19.87 61.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.43 -37.6 57.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.51 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 567' ' ' THR . 0.7 OUTLIER -52.41 -36.62 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.007 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.1 m-85 -70.82 -33.94 71.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.511 ' CD2' HG21 ' A' ' 549' ' ' ILE . 46.3 m-85 -75.39 -48.77 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.977 0.418 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.5 p -60.7 -41.01 94.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 563' ' ' ASP . 3.0 p -57.89 -19.64 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.327 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.723 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.22 -13.6 15.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.669 0.271 . . . . 0.0 111.461 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.29 28.03 6.26 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.772 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 576' ' ' ILE . 1.2 mp -119.19 114.07 21.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.0 p -117.05 -28.32 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.72 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 13.9 p -99.62 151.65 20.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 111.385 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.509 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -66.59 -37.29 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.343 0.592 . . . . 0.0 109.493 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.61 -21.98 42.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.6 pt -123.57 15.27 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.0 OUTLIER -50.36 -27.77 6.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.31 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.25 29.21 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.735 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.19 141.55 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.459 0.647 . . . . 0.0 112.501 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.9 p -100.51 170.04 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.948 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -28.32 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -50.73 48.46 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.392 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.76 -49.96 75.38 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.64 -34.51 69.41 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.936 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.29 -33.13 61.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.32 83.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.98 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -70.85 -8.88 55.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.041 178.707 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 587' ' ' LEU . 0.2 OUTLIER 85.31 24.87 0.08 Allowed 'General case' 0 C--N 1.338 0.09 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.21 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.949 HD13 HD23 ' A' ' 584' ' ' LEU . 1.4 mp -81.11 129.84 65.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.176 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.25 153.9 15.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.899 2.399 . . . . 0.0 113.173 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -67.19 -28.16 67.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -74.43 -24.91 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.44 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.76 -36.11 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.295 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.1 ptp180 -54.72 -37.69 66.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.991 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -50.01 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.665 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.39 -52.07 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.43 ' O ' HG12 ' A' ' 601' ' ' ILE . 66.9 mt -60.18 -48.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.623 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 23.2 t90 -55.78 -41.78 74.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -59.23 -45.65 90.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.214 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.68 95.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.067 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 30.3 mm -65.99 -38.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.623 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 20.6 mt -66.62 -42.04 87.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.21 -38.21 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.068 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' HIS . . . . . 0.557 ' HA ' HD12 ' A' ' 607' ' ' LEU . 38.2 t60 -64.39 -33.75 76.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.52 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -77.5 -29.37 52.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 604' ' ' HIS . 27.5 mt -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.29 -31.45 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -115.04 75.71 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -115.08 -38.6 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 3.4 m -168.72 35.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 37.0 m -137.25 92.4 13.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.19 174.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 33.5 t 60.92 168.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 -169.08 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.607 HD23 ' CD2' ' A' ' 617' ' ' LEU . 6.5 tp -101.86 -34.8 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.607 ' CD2' HD23 ' A' ' 616' ' ' LEU . 0.4 OUTLIER -149.63 108.81 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -76.53 99.06 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 75.4 p -138.8 103.53 7.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.92 136.63 38.91 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.37 2.047 . . . . 0.0 112.253 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.8 t 61.72 30.86 18.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.119 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.9 m -99.95 73.73 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' TYR . . . . . 0.426 ' N ' ' HD2' ' A' ' 544' ' ' PRO . 1.7 m-85 -70.54 -61.12 2.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 545' ' ' THR . 40.7 Cg_endo -67.49 139.2 48.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.425 2.084 . . . . 0.0 112.347 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 544' ' ' PRO . 0.9 OUTLIER -158.99 161.39 36.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.07 -175.92 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.836 ' O ' HG22 ' A' ' 573' ' ' ILE . 1.8 t -65.62 111.55 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 55.1 p -104.82 158.23 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.349 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.557 HG22 HD12 ' A' ' 562' ' ' LEU . 5.3 mm -65.59 -28.97 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.22 -49.71 79.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -35.21 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.239 0.542 . . . . 0.0 110.008 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.762 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.8 t80 -62.4 -45.64 92.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.504 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 562' ' ' LEU . 17.9 mt -74.06 -41.6 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.14 -37.23 69.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -64.22 -29.82 70.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.3 mt -97.95 -18.09 18.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 87.34 47.24 4.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.641 ' O ' HD13 ' A' ' 553' ' ' LEU . 53.2 m -143.76 42.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 2.6 m -61.26 -29.27 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.38 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.1 m -70.65 -19.77 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.86 -37.03 40.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -52.54 -36.5 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.7 m-85 -70.6 -33.92 71.59 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.915 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.495 ' CD1' HG21 ' A' ' 549' ' ' ILE . 47.5 m-85 -75.29 -48.84 21.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.41 -37.51 83.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -21.61 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.45 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.529 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -108.05 -13.53 14.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.63 0.253 . . . . 0.0 111.363 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.72 10.5 24.81 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -93.97 111.97 23.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.033 0.416 . . . . 0.0 110.691 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 50.9 p -110.04 -38.11 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.2 p -96.53 153.7 17.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.574 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.836 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.3 tt -78.49 -26.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.82 -39.72 78.29 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.922 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.51 -28.44 65.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.77 ' CG2' HD22 ' A' ' 570' ' ' LEU . 20.1 pt -111.42 15.05 8.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.213 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.71 -29.09 24.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -116.69 26.76 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -71.3 141.65 50.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.347 0.594 . . . . 0.0 112.28 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.0 p -100.55 166.91 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.049 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.425 ' HE1' ' HG3' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -58.65 -30.42 67.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -67.39 -52.09 44.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.403 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -58.45 -47.84 82.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.46 -35.1 71.64 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.702 0.763 . . . . 0.0 109.992 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 585' ' ' ALA . . . . . 0.571 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -75.21 -31.85 61.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.762 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.7 t -64.14 -36.77 85.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.098 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.76 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.89 -13.03 61.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.826 178.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 94.1 19.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.115 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -80.65 123.99 82.22 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.791 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 149.91 39.98 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.768 2.312 . . . . 0.0 113.047 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.5 tt0 -56.92 -32.32 65.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.09 -15.63 62.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.415 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -112.61 -48.54 3.0 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.571 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.68 -26.21 43.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.57 0.224 . . . . 0.0 111.353 -179.304 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -50.25 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.32 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.0 110.312 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 589' ' ' ILE . 51.5 mt -60.68 -43.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.213 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.45 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.7 t90 -58.71 -45.71 88.93 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.046 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -55.8 -43.5 76.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.24 97.98 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.746 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.562 HG21 ' O ' ' A' ' 576' ' ' ILE . 19.4 mt -61.7 -41.36 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.336 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.04 -42.99 95.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -55.05 -34.7 63.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' HIS . . . . . 0.508 ' HA ' HD12 ' A' ' 607' ' ' LEU . 10.9 t60 -77.96 -35.02 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -59.42 -40.13 85.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.2 -30.53 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 604' ' ' HIS . 6.4 mt -59.49 -41.07 88.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -39.25 42.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 60.13 106.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -91.92 174.05 7.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.5 m -124.5 31.04 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 40.7 t -132.99 81.38 57.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.427 ' HB2' HD11 ' A' ' 616' ' ' LEU . 54.8 Cg_endo -69.98 142.31 46.65 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 73.1 p -118.62 158.09 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.18 75.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 613' ' ' PRO . 13.5 mt -128.8 138.95 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.5 mt -151.53 -46.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -89.01 123.76 33.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' THR . . . . . 0.4 ' N ' ' CD ' ' A' ' 620' ' ' PRO . 4.9 m 61.0 54.36 3.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 619' ' ' THR . 55.9 Cg_endo -70.31 151.97 66.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.503 2.135 . . . . 0.0 112.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 16.0 t -73.35 -35.21 65.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 4.9 m -109.37 137.09 47.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.56 151.76 57.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.32 144.48 62.26 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.541 2.16 . . . . 0.0 112.117 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 546' ' ' ASP . 0.1 OUTLIER -128.75 -84.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ASP . . . . . 0.442 ' H ' HG23 ' A' ' 545' ' ' THR . 1.9 m-20 -146.23 164.76 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.495 ' CB ' HG21 ' A' ' 573' ' ' ILE . 4.1 m -85.79 133.98 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 55.1 p -105.29 153.55 21.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.34 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.832 HG22 HD12 ' A' ' 562' ' ' LEU . 20.7 mm -64.36 -28.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.2 -49.79 81.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 p -78.23 -35.46 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.247 0.546 . . . . 0.0 110.178 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.72 ' CE1' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -61.6 -49.67 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.592 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 562' ' ' LEU . 17.3 mt -73.15 -41.04 64.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.94 -35.58 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -28.44 64.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 552' ' ' PHE . 70.1 mt -92.62 -18.16 23.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.77 44.08 5.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.567 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.502 ' O ' HD13 ' A' ' 553' ' ' LEU . 99.3 m -147.05 43.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 56.0 p -61.26 -28.52 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 87.4 p -62.05 -25.83 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -71.07 -19.99 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.488 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.58 -35.68 54.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.9 m-85 -70.48 -35.02 73.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' A' ' 587' ' ' LEU . 53.3 m-85 -75.31 -48.62 22.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 p -59.33 -44.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 563' ' ' ASP . 30.9 p -57.7 -19.86 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.485 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.782 ' HB3' HD12 ' A' ' 570' ' ' LEU . 9.1 tp-100 -103.66 -13.59 16.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.663 0.268 . . . . 0.0 111.522 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.42 3.98 37.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.984 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.807 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -94.37 115.98 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.4 p -119.86 -24.09 6.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.9 p -107.15 149.39 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.349 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -64.42 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.41 ' CE1' ' OD1' ' A' ' 546' ' ' ASP . 26.2 m-85 -56.93 -36.18 69.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.755 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -57.83 -21.86 44.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.3 pt -121.62 15.54 5.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.556 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.22 -26.02 16.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 111.202 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -117.79 25.07 10.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.807 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.8 142.53 44.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.418 0.627 . . . . 0.0 112.472 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 27.5 p -100.55 165.81 11.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.845 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.423 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -58.33 -29.85 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.86 -51.15 51.54 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.298 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -59.09 -44.78 91.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 110.328 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 1.003 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.0 -35.7 77.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.647 0.736 . . . . 0.0 109.782 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.37 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.837 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.12 98.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.068 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.788 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.86 -19.79 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.883 178.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 15.2 tttm 100.39 20.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.917 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 1.003 HD13 HD23 ' A' ' 584' ' ' LEU . 1.6 mp -78.94 127.12 80.82 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.325 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 589' ' ' ILE . 53.9 Cg_exo -53.32 160.95 4.23 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.84 2.36 . . . . 0.0 112.949 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.2 OUTLIER -72.2 -25.61 61.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.83 -16.63 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -113.57 -34.14 5.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.2 ptp180 -54.88 -38.37 67.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.218 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' HIS . . . . . 0.423 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 0.7 OUTLIER -64.4 -50.07 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.886 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.44 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.403 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 41.0 mt -60.11 -49.46 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.3 t90 -55.01 -41.84 71.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.81 -44.96 93.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.24 -40.3 97.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.178 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.744 HG21 ' O ' ' A' ' 576' ' ' ILE . 38.3 mm -65.14 -46.55 90.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 598' ' ' TRP . 13.5 mt -64.05 -35.55 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.84 -31.63 72.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -61.95 -33.18 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -29.87 58.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 -26.58 62.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.037 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.2 mt -57.51 -31.98 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -84.86 -31.81 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -142.24 90.47 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -105.62 169.77 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 21.9 t -95.06 -28.61 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 11.8 t 60.71 87.84 0.13 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.78 109.39 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.568 2.178 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.16 120.64 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -55.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.89 116.73 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.86 -54.7 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 44.43 36.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.524 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' THR . . . . . 0.417 ' N ' ' CD ' ' A' ' 620' ' ' PRO . 0.3 OUTLIER -87.26 -51.69 0.42 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 620' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 619' ' ' THR . 27.8 Cg_exo -61.91 -52.54 2.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.473 2.115 . . . . 0.0 112.135 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -116.46 179.32 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 103.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.88 160.84 37.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.38 132.02 33.52 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.565 2.177 . . . . 0.0 112.281 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.67 -33.48 47.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -106.6 152.87 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.521 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.8 m -97.11 137.07 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 78.8 p -105.41 154.02 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 562' ' ' LEU . 9.8 mm -64.62 -27.16 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 109.711 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.33 -49.58 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -35.24 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.158 0.504 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -62.04 -50.97 69.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.346 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 562' ' ' LEU . 38.4 mt -71.3 -38.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.25 72.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -28.84 70.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.829 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.35 -18.23 21.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.97 30.85 24.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.695 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.9 p -133.65 41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 p -56.84 -22.56 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 597' ' ' ILE . 32.5 m -74.64 -19.61 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.549 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.72 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.78 -37.69 43.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.569 -179.391 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.56 -37.39 57.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.555 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 33.4 m-85 -70.68 -33.27 70.74 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' A' ' 587' ' ' LEU . 45.4 m-85 -75.15 -48.75 22.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.4 p -60.57 -40.98 93.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.45 -20.98 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.374 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.94 -13.62 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.46 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.58 6.36 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.822 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.848 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -114.6 112.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 7.8 m -118.64 -27.59 5.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.839 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 4.9 p -101.59 146.89 27.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.311 . . . . 0.0 111.425 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.521 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -62.21 -36.97 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.314 0.578 . . . . 0.0 109.667 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.09 -35.58 71.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.914 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -22.09 42.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.789 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.4 pt -124.01 15.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.613 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.471 ' HA ' HG23 ' A' ' 601' ' ' ILE . 26.8 tt0 -50.26 -31.13 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -118.49 27.76 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.177 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.848 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.01 144.54 48.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 0.0 112.302 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.65 162.34 12.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.912 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -55.88 -31.1 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.92 -53.19 34.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.552 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 45.3 m-20 -56.62 -47.57 79.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.042 0.449 . . . . 0.0 110.315 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.93 -35.81 73.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 585' ' ' ALA . . . . . 0.527 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -74.96 -32.44 61.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.986 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.1 t -63.3 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.312 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.718 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.21 -16.15 63.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.179 179.056 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 41.6 tttt 101.53 17.2 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.25 0.62 . . . . 0.0 112.084 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 584' ' ' LEU . 2.4 mp -84.01 122.88 76.09 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 120.071 -0.651 . . . . 0.0 110.043 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 163.73 10.67 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.678 2.252 . . . . 0.0 112.73 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 36.9 tt0 -64.07 -35.72 81.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -67.2 -14.83 63.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.419 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -113.71 -50.22 2.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.527 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.78 -31.71 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.514 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 595' ' ' HIS . . . . . 0.543 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 1.6 t-160 -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 110.779 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.55 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.114 0.483 . . . . 0.0 110.567 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.419 ' O ' HG12 ' A' ' 601' ' ' ILE . 53.9 mt -59.14 -43.13 88.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.326 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.612 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.1 t90 -58.1 -44.84 87.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.269 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -43.04 86.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.146 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.2 -41.9 98.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.959 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 576' ' ' ILE . 31.2 mm -65.57 -44.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.612 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 8.0 mt -60.47 -45.88 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -56.3 -36.13 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.046 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' HIS . . . . . 0.679 ' HA ' HD21 ' A' ' 607' ' ' LEU . 27.7 t60 -56.27 -32.35 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -81.11 -28.02 35.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 -52.1 11.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.157 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 604' ' ' HIS . 1.7 pp -57.21 -22.04 38.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.361 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -73.92 -42.04 61.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 55.03 73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.002 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.14 106.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.39 37.84 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 54.5 p -75.31 141.4 73.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -62.11 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.456 2.104 . . . . 0.0 112.269 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 59.1 p -168.81 -169.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -101.63 99.82 10.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 17.0 tp -135.27 32.75 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 3.9 mp -142.78 85.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.09 96.61 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 45.2 p -134.33 84.34 41.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -45.72 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.594 2.196 . . . . 0.0 112.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.62 35.93 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.864 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 6.3 t -85.99 162.25 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -111.96 155.29 43.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 545' ' ' THR . 25.1 Cg_endo -61.62 123.77 13.33 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.621 2.214 . . . . 0.0 112.178 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 544' ' ' PRO . 1.0 OUTLIER 84.07 -19.05 0.39 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.509 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 58.2 164.7 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.861 0.363 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.481 ' CB ' HG21 ' A' ' 573' ' ' ILE . 11.8 m -94.58 129.95 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 59.6 p -105.08 154.46 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.194 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.75 HG21 ' CD1' ' A' ' 565' ' ' PHE . 17.9 mm -64.69 -27.54 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.44 ' HA ' HD13 ' A' ' 562' ' ' LEU . 67.6 t -65.0 -49.75 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 99.6 p -77.2 -37.54 53.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.351 0.596 . . . . 0.0 109.643 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.12 -45.96 91.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.399 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 549' ' ' ILE . 27.7 mt -72.83 -39.14 66.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -54.9 -38.69 67.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -30.41 71.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.642 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.9 mt -91.4 -18.14 24.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.46 41.45 6.91 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 66.6 m -151.15 48.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 65.3 m -60.54 -28.96 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 62.6 p -59.6 -27.03 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.105 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 597' ' ' ILE . 12.3 m -61.0 -19.9 61.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.357 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -53.47 -38.52 63.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.513 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 567' ' ' THR . 63.0 m-20 -52.35 -35.94 52.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 32.6 m-85 -71.32 -34.23 70.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.75 ' CD1' HG21 ' A' ' 549' ' ' ILE . 46.7 m-85 -75.17 -48.7 22.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.1 p -60.69 -41.41 95.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 563' ' ' ASP . 16.5 p -57.18 -20.29 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.692 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.9 tp-100 -106.53 -13.68 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.511 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 104.83 27.96 5.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.684 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.824 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -120.14 119.59 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.81 -24.0 4.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.855 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.4 p -106.6 149.16 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.303 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.1 tt -65.74 -40.2 87.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.166 0.507 . . . . 0.0 109.876 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.93 -38.48 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.97 -21.89 46.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.764 ' CG2' HD22 ' A' ' 570' ' ' LEU . 23.2 pt -122.82 15.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.505 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.537 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.4 tt0 -52.31 -26.61 12.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.219 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.76 26.28 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.824 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.75 143.66 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.431 0.634 . . . . 0.0 112.33 -179.61 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.6 p -100.5 165.95 11.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.98 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.1 mtp -59.16 -29.47 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -67.26 -52.5 40.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.287 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -57.68 -50.45 73.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.124 0.488 . . . . 0.0 110.12 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.63 -36.32 66.87 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.151 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.29 61.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.963 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 m -65.83 -32.78 74.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.195 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.751 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -72.23 -9.75 58.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 95.99 14.9 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.162 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.958 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.62 119.89 76.59 Favored Pre-proline 0 CA--C 1.53 0.208 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.316 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.6 166.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.853 2.369 . . . . 0.0 112.772 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.456 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.1 tt0 -66.29 -44.45 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.175 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.09 -19.62 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.417 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.78 -43.34 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.661 0.267 . . . . 0.0 111.405 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.0 ptp180 -56.56 -33.84 66.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -50.04 72.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.72 65.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.574 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 67.2 mt -58.85 -43.37 88.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.564 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.427 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 16.8 t90 -59.67 -45.51 91.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -42.49 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.477 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.24 94.72 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.207 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.69 HG21 ' O ' ' A' ' 576' ' ' ILE . 34.1 mm -63.97 -33.09 59.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.427 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.0 mt -67.23 -45.42 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.99 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -39.43 78.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.94 -29.68 70.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -66.16 -29.36 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -30.99 65.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 607' ' ' LEU . 19.7 mt -64.5 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -100.26 -25.08 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.36 129.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -99.15 156.98 16.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.58 -0.66 56.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.2 m 62.84 81.15 0.23 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.75 78.77 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.578 2.185 . . . . 0.0 112.354 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.89 -31.63 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.13 134.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.94 38.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 617' ' ' LEU . 8.9 tt -161.0 102.12 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -164.33 91.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 11.2 p -144.87 56.78 3.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.27 136.79 32.5 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.498 2.132 . . . . 0.0 112.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.2 t -149.33 148.61 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.938 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.8 p -116.96 104.19 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 61.5 154.42 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.02 135.58 30.18 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.587 2.191 . . . . 0.0 112.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 4.5 m -107.53 -35.5 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.86 160.81 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.445 ' HB3' HG21 ' A' ' 573' ' ' ILE . 44.6 m -85.21 126.95 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 85.6 p -105.22 154.12 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.065 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.505 HG21 ' CD2' ' A' ' 565' ' ' PHE . 4.2 mm -65.27 -26.0 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 95.0 t -65.89 -49.64 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.91 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 m -77.78 -36.09 50.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.529 . . . . 0.0 109.806 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.925 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.332 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 562' ' ' LEU . 20.8 mt -72.84 -41.36 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.97 -37.59 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.94 -28.97 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.894 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.925 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.3 mt -95.12 -18.13 21.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.19 44.86 6.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.516 ' O ' HD13 ' A' ' 553' ' ' LEU . 23.3 m -147.46 41.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -27.06 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -23.81 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 56.7 m -73.2 -19.87 61.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.436 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.87 -37.48 43.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.657 0.265 . . . . 0.0 111.519 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 2.5 m-20 -52.56 -36.35 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.925 0.393 . . . . 0.0 110.641 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 27.6 m-85 -72.16 -33.16 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.864 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.25 -48.8 21.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.945 0.402 . . . . 0.0 110.743 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.4 p -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.815 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 5.5 p -58.1 -19.42 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.201 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.706 ' HB3' HD12 ' A' ' 570' ' ' LEU . 10.0 tp-100 -106.5 -13.64 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.11 6.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.644 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.827 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -118.6 116.88 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.783 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 6.6 m -122.52 -28.43 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.626 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.3 p -101.09 145.58 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.487 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.9 tt -63.59 -39.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 109.921 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -55.61 -37.49 68.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.71 -23.32 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 43.1 pt -120.9 15.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.451 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.514 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.6 tt0 -51.86 -26.45 10.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.756 0.312 . . . . 0.0 111.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' HIS . . . . . 0.448 ' CD2' ' HB3' ' A' ' 577' ' ' GLU . 5.5 m-70 -119.38 27.55 8.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.827 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.89 142.89 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.382 0.61 . . . . 0.0 112.32 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.8 p -100.48 167.98 10.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.993 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -29.87 69.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.04 -51.94 41.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.258 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -58.54 -47.85 82.84 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.062 0.458 . . . . 0.0 110.212 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.93 -34.11 72.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.15 -33.81 61.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.924 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -41.41 97.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.193 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.66 -18.83 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.166 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 22.8 tttp 101.22 19.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.273 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 2.6 mp -85.65 116.16 64.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.27 152.12 55.37 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.984 2.456 . . . . 0.0 113.157 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 9.1 tt0 -50.65 -36.55 36.04 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.274 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -15.05 60.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -119.51 -47.09 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.573 ' HB3' HG22 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -57.13 -31.54 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.565 0.221 . . . . 0.0 111.35 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 595' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 0.8 OUTLIER -65.25 -50.11 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.592 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.46 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.055 0.455 . . . . 0.0 110.431 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 601' ' ' ILE . 70.3 mt -58.69 -45.17 91.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.282 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.425 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 21.5 t90 -57.27 -42.48 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -59.29 -44.15 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.217 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.41 -41.11 98.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.096 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.7 mm -66.3 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.791 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.6 mt -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.2 -37.55 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.25 -35.12 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -71.51 -31.54 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -64.24 -33.62 76.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -33.78 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -31.32 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.44 93.44 4.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -63.0 167.14 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.2 m -107.42 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.51 108.12 1.21 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.99 -19.5 26.32 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.469 2.113 . . . . 0.0 112.545 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.33 -67.73 0.25 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 111.279 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -135.71 177.19 8.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 150.45 24.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.735 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.7 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.58 18.84 15.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 19.5 p 48.3 79.67 0.33 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.211 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.94 -51.65 10.69 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.52 144.27 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.8 m -107.4 133.89 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -72.07 154.14 92.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.1 150.12 71.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.549 2.166 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.44 122.66 29.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 60.38 179.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.504 ' HB3' HG21 ' A' ' 573' ' ' ILE . 80.7 m -64.57 116.22 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.7 p -105.4 157.94 16.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.457 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.725 HG22 HD12 ' A' ' 562' ' ' LEU . 12.2 mm -65.65 -27.52 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.15 -49.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 29.5 t -77.17 -38.11 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.689 ' CE2' HD11 ' A' ' 556' ' ' LEU . 0.7 OUTLIER -59.87 -45.83 91.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.418 179.479 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 562' ' ' LEU . 24.4 mt -74.05 -37.92 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.646 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.82 71.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 555' ' ' ARG . 26.4 ttm105 -67.23 -27.12 66.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.689 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.2 mt -99.19 -18.08 17.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 83.45 46.89 5.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.524 ' O ' HD13 ' A' ' 553' ' ' LEU . 94.5 m -144.68 43.38 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -62.25 -28.39 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.0 t -60.23 -22.37 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.9 m -75.73 -19.98 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -51.83 -38.1 54.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.58 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 567' ' ' THR . 0.8 OUTLIER -52.3 -36.67 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.98 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CB ' HG13 ' A' ' 589' ' ' ILE . 56.9 m-85 -71.0 -33.88 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.431 ' CD1' ' CD1' ' A' ' 587' ' ' LEU . 54.8 m-85 -75.34 -48.52 22.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.5 p -60.45 -40.67 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 563' ' ' ASP . 12.6 p -57.56 -21.33 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.713 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.13 -13.56 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.372 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.0 6.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.611 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.792 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -115.53 111.97 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.732 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 -24.28 6.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.654 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.6 p -102.67 144.18 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.297 . . . . 0.0 111.281 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 552' ' ' PHE . 6.7 tt -65.85 -38.31 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.153 0.502 . . . . 0.0 110.072 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.51 -36.08 68.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.552 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -26.46 62.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.706 ' O ' HG21 ' A' ' 601' ' ' ILE . 26.0 pt -116.31 15.19 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -51.73 -26.59 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.71 0.291 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' HIS . . . . . 0.415 ' CD2' ' HD2' ' A' ' 605' ' ' ARG . 2.1 m-70 -121.16 27.09 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.792 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -70.26 139.96 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.446 0.641 . . . . 0.0 112.283 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.6 p -100.6 170.07 8.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.156 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.433 ' HG3' ' HD3' ' A' ' 594' ' ' ARG . 2.0 ttm -62.09 -27.72 69.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.54 -49.51 53.73 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.429 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.44 -49.37 75.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.24 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.8 -35.9 71.48 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.643 0.735 . . . . 0.0 109.853 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.31 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.976 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.07 95.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.8 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.2 -15.2 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.546 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 87.96 26.75 0.03 OUTLIER 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.813 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 1.085 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -75.35 127.73 85.7 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.233 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.86 151.47 20.02 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.803 2.335 . . . . 0.0 112.656 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 594' ' ' ARG . 76.2 mt-10 -67.21 -29.72 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -64.03 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.279 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -105.55 -24.45 12.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' A' ' 591' ' ' GLU . 27.1 ttm180 -54.91 -53.99 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -43.51 95.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.42 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.447 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 39.1 mt -62.03 -46.43 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.313 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.149 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -59.95 -43.25 95.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.933 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.5 -40.74 98.15 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.882 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.706 HG21 ' O ' ' A' ' 576' ' ' ILE . 39.1 mm -66.53 -37.43 79.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.396 . . . . 0.0 110.75 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.56 -49.15 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.45 -35.03 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -75.92 -30.91 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' ARG . . . . . 0.415 ' HD2' ' CD2' ' A' ' 578' ' ' HIS . 12.5 ttp85 -76.77 -39.09 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -59.96 -33.7 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.88 -31.48 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.69 86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 60.29 99.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 32.19 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.8 t -158.38 93.52 2.0 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.77 146.2 71.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.383 2.055 . . . . 0.0 112.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 78.4 p -94.52 74.96 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -177.73 65.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.38 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -37.87 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -176.68 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 26.5 p -98.47 106.48 36.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.94 -27.36 36.81 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.435 2.09 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.66 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.85 -51.96 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -123.51 154.22 66.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 113.97 3.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.581 2.187 . . . . 0.0 112.331 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.6 m -61.32 -58.62 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.762 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ASP . . . . . 0.402 ' OD1' ' CE2' ' A' ' 574' ' ' TYR . 38.7 m-20 60.61 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.482 ' HB3' HG21 ' A' ' 573' ' ' ILE . 43.4 t -97.04 132.74 42.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.7 p -105.4 156.76 17.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.709 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -65.07 -27.93 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.54 -49.93 78.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.6 t -77.53 -37.39 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -60.38 -46.12 91.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.379 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 562' ' ' LEU . 23.9 mt -71.29 -42.91 68.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.1 -34.61 63.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.679 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -71.45 -30.53 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 552' ' ' PHE . 55.8 mt -92.05 -18.04 24.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.47 44.74 5.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.7 m -151.18 47.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 45.2 t -60.87 -28.85 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 3.1 m -62.85 -26.78 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 5.4 m -64.7 -19.78 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.377 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.6 -37.5 63.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.635 0.255 . . . . 0.0 111.336 -179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 567' ' ' THR . 2.8 m-20 -52.45 -35.47 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.752 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 29.5 m-85 -71.96 -34.36 68.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.6 m-85 -75.22 -48.75 21.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 18.3 p -60.87 -41.66 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.71 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 563' ' ' ASP . 9.2 p -57.96 -20.06 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.305 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.639 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.5 tp-100 -105.5 -13.62 15.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 28.06 6.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.61 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.843 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.7 mp -120.7 119.25 32.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.707 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 74.0 p -120.53 -29.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.682 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.8 p -101.65 154.7 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 547' ' ' CYS . 4.8 tt -69.83 -39.5 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.402 ' CE2' ' OD1' ' A' ' 546' ' ' ASP . 25.4 m-85 -54.06 -38.61 65.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.999 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.33 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.764 ' O ' HG21 ' A' ' 601' ' ' ILE . 48.4 pt -120.62 15.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.59 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 601' ' ' ILE . 3.3 tt0 -51.28 -27.6 9.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.72 0.295 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -119.48 28.81 7.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.843 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.27 143.04 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.325 0.583 . . . . 0.0 112.372 -179.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 30.2 p -100.38 166.62 10.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.03 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.73 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.73 -51.89 43.93 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.285 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.53 -49.97 75.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.142 0.496 . . . . 0.0 110.09 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.963 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.01 -35.22 68.98 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.384 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 585' ' ' ALA . . . . . 0.504 ' HB2' ' NH1' ' A' ' 594' ' ' ARG . . . -75.07 -32.89 61.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.962 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -36.81 85.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.383 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.713 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.31 -15.08 63.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.4 tttt 101.08 16.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.241 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.963 HD13 HD23 ' A' ' 584' ' ' LEU . 2.9 mp -83.88 116.36 64.36 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.076 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.63 160.2 9.84 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.029 2.486 . . . . 0.0 113.308 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.644 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.7 OUTLIER -61.9 -24.51 66.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.203 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.53 -17.47 59.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.786 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -116.32 -42.34 3.04 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.8 ptp180 -54.82 -29.56 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 111.171 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -50.13 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.51 79.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.162 0.506 . . . . 0.0 110.261 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.668 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 70.4 mt -60.2 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.294 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.9 t90 -56.16 -42.36 76.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -59.18 -44.83 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.357 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.18 98.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.189 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.764 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.8 mm -64.9 -35.84 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.48 -44.97 77.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -59.33 -41.63 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -63.14 -31.57 72.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -32.72 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -67.34 -32.99 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.7 -32.89 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.78 -32.44 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.91 -24.94 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 64.02 93.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 7.9 t -138.06 99.87 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.02 95.36 49.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.03 -58.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.474 2.116 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 615' ' ' HIS . 78.7 p -168.74 139.97 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 614' ' ' SER . 74.0 m80 -157.33 145.7 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 617' ' ' LEU . 6.6 mp -118.93 30.8 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 616' ' ' LEU . 8.9 mp -133.34 -69.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 60.76 179.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 30.6 p -98.86 111.02 59.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.36 160.55 48.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.47 2.113 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 58.4 m -157.31 -49.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.933 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.6 m -124.63 126.14 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -78.78 162.93 63.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.63 135.51 56.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.561 2.174 . . . . 0.0 112.318 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.2 -36.86 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.75 162.97 4.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 36.2 t -86.47 124.09 32.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.14 0.495 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 52.5 p -105.2 159.73 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.196 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.744 HG22 HD12 ' A' ' 562' ' ' LEU . 13.4 mm -65.18 -27.8 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.19 -49.74 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.0 m -78.12 -36.83 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.298 0.571 . . . . 0.0 109.935 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.92 -47.7 85.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.547 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 562' ' ' LEU . 29.2 mt -74.15 -38.98 63.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -27.81 65.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 552' ' ' PHE . 7.3 mt -94.94 -18.16 21.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.249 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.18 47.76 4.84 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 553' ' ' LEU . 11.6 m -148.4 43.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -28.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -25.51 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.405 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 8.0 m -69.2 -20.04 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.82 -38.42 61.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.448 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.41 -36.12 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 37.6 m-85 -71.09 -34.15 70.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 549' ' ' ILE . 49.0 m-85 -75.23 -48.61 22.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 p -60.49 -41.15 93.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.9 p -57.23 -20.7 28.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.673 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.2 OUTLIER -106.15 -13.47 15.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.355 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.0 27.98 5.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.597 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.797 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -118.23 115.88 25.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.758 0.314 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -29.75 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.635 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -101.24 150.91 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.288 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 552' ' ' PHE . 5.7 tt -66.22 -40.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.418 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 21.4 m-85 -54.37 -35.73 63.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.794 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -25.79 61.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.758 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.9 pt -117.2 15.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.498 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -50.53 -26.79 5.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.674 0.273 . . . . 0.0 111.386 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -119.71 27.73 8.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.797 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.92 142.44 44.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 112.494 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.8 p -100.69 168.46 9.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.89 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.417 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -61.71 -29.28 69.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.5 -52.79 34.94 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.29 -45.86 83.72 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.158 0.504 . . . . 0.0 110.274 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 1.057 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.51 -36.93 77.01 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.078 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -43.02 99.55 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.2 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.43 -18.88 62.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.026 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 11.5 tttm 99.48 19.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.932 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 1.057 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -77.68 126.06 84.92 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.079 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.42 149.03 24.46 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.855 2.37 . . . . 0.0 112.623 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -30.24 70.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -69.97 -17.79 63.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.387 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -116.39 -35.39 4.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 584' ' ' LEU . 3.7 ptp180 -57.14 -36.85 71.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.22 -49.8 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.468 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.45 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.088 0.471 . . . . 0.0 110.412 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 601' ' ' ILE . 29.4 mt -61.22 -47.74 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.109 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.5 t90 -57.01 -42.11 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -59.76 -43.69 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.24 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.52 -41.7 98.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.012 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.758 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.6 mm -64.03 -47.94 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 13.2 mt -58.42 -44.52 89.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.5 -30.89 61.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -72.77 -38.6 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -59.69 -37.71 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -69.35 -30.76 68.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.18 -31.02 27.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -73.96 -38.27 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -103.46 89.71 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.83 174.55 6.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 90.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.53 146.67 41.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 110.53 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.543 2.162 . . . . 0.0 112.246 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 143.15 16.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' HIS . . . . . 0.529 ' O ' HD22 ' A' ' 617' ' ' LEU . 0.2 OUTLIER 179.25 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.031 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 71.3 mt -47.83 140.18 6.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 615' ' ' HIS . 4.6 mm? -103.32 33.91 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.07 -71.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 1.9 t -134.21 127.24 18.9 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.33 -35.5 75.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.348 2.032 . . . . 0.0 112.253 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -128.12 135.59 50.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 4.6 p -73.27 80.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -114.12 156.04 44.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.95 133.23 24.72 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.557 2.172 . . . . 0.0 112.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.48 -46.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -162.11 157.02 22.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 573' ' ' ILE . 35.4 m -76.57 126.11 30.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.5 p -105.24 153.19 21.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 562' ' ' LEU . 14.6 mm -63.65 -27.75 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.96 -49.78 80.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.5 m -78.23 -36.07 47.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.194 0.521 . . . . 0.0 109.889 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.31 -45.72 93.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.43 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 562' ' ' LEU . 25.1 mt -74.05 -41.08 62.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.53 67.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.42 -28.68 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.743 HD11 ' CE2' ' A' ' 552' ' ' PHE . 30.2 mt -93.3 -18.08 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.56 43.47 6.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.614 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.451 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.8 m -146.92 45.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 86.8 p -61.57 -29.79 70.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 83.4 p -59.81 -23.88 63.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.4 m -71.22 -19.93 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.523 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.36 -38.32 63.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 111.476 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 567' ' ' THR . 1.8 m-20 -52.52 -35.56 53.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 36.2 m-85 -71.76 -34.11 69.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 587' ' ' LEU . 49.1 m-85 -75.3 -48.86 21.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.0 p -60.82 -42.22 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 563' ' ' ASP . 8.9 p -58.17 -19.51 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.702 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.88 -13.49 15.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.702 0.287 . . . . 0.0 111.477 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.81 28.03 6.1 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.645 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.829 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -119.75 115.83 24.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 71.6 p -121.65 -22.85 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.813 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -107.52 147.54 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.2 tt -65.37 -40.12 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -54.26 -38.17 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.732 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -23.19 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.004 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.75 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.0 pt -120.78 15.27 6.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.508 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.99 -27.25 5.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.4 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -120.49 29.9 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.829 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.83 142.78 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 112.353 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.5 p -100.42 167.59 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.049 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 7.6 ttm -60.33 -29.46 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -52.05 40.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.316 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.6 -48.19 81.78 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.3 -36.31 73.13 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.253 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.12 -31.77 61.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.059 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.4 t -63.43 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.209 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.729 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -66.37 -15.4 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.117 179.03 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 39.7 tttt 99.04 18.48 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.138 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -82.22 122.98 79.76 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.33 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.81 161.63 4.44 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.87 2.38 . . . . 0.0 112.831 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 45.9 mt-10 -66.93 -39.81 87.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.45 -15.49 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.552 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -113.34 -40.06 3.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.433 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.1 ptp180 -56.74 -35.65 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.147 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -65.89 -50.02 65.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.86 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.163 0.506 . . . . 0.0 110.589 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.409 ' O ' HG12 ' A' ' 601' ' ' ILE . 40.8 mt -59.56 -46.84 92.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.324 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.603 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.3 t90 -55.44 -44.22 76.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.413 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -42.65 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.183 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.98 98.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.136 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.7 mm -66.05 -40.72 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.603 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.2 mt -67.23 -41.73 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -30.94 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -67.74 -40.14 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.47 -31.03 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.89 -29.47 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.02 -30.81 68.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -101.29 -39.38 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -117.56 101.2 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.74 148.17 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 49.9 p -155.16 124.46 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 55.4 p -117.48 90.15 34.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 108.56 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.554 2.169 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 40.1 m -158.48 -44.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 35.8 m80 63.45 93.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.79 -45.27 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 617' ' ' LEU . 1.4 pp -105.77 39.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.67 138.57 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 62.4 p -121.65 92.17 48.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.58 179.17 3.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 142.51 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 86.5 p -104.09 -37.18 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.46 155.81 92.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.25 154.12 66.06 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.594 2.196 . . . . 0.0 112.37 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 546' ' ' ASP . 0.1 OUTLIER -119.96 -86.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 546' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 545' ' ' THR . 0.1 OUTLIER -123.98 -75.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 46.1 t -96.63 125.62 41.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -105.23 159.93 15.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.199 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.776 HG22 HD12 ' A' ' 562' ' ' LEU . 15.4 mm -65.02 -28.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.65 -49.78 80.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 48.1 t -78.14 -35.96 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.169 0.509 . . . . 0.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.529 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.1 t80 -61.69 -46.52 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.503 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 558' ' ' CYS . 16.1 mt -74.14 -40.93 62.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.22 68.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.61 -29.09 69.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 552' ' ' PHE . 16.4 mt -95.23 -18.1 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.98 45.39 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.664 ' O ' HD13 ' A' ' 553' ' ' LEU . 92.8 m -146.02 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 22.3 p -62.03 -28.07 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.3 t -60.42 -23.38 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -73.95 -19.9 60.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.468 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -51.27 -38.36 52.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.446 -179.606 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.6 -36.15 55.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.7 m-85 -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.439 ' CD2' HG21 ' A' ' 549' ' ' ILE . 45.5 m-85 -75.37 -48.82 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 16.8 p -60.3 -41.7 93.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 563' ' ' ASP . 13.9 p -56.03 -20.52 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.674 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.524 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -107.71 -13.64 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.593 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.7 27.98 5.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.455 -0.878 . . . . 0.0 113.278 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.815 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -118.01 111.94 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.549 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.33 -28.64 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.7 p -102.53 149.08 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.245 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.495 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.3 tt -63.41 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.347 0.594 . . . . 0.0 109.668 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 38.7 m-85 -55.79 -35.58 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.989 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -22.22 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.804 ' CG2' HD22 ' A' ' 570' ' ' LEU . 32.2 pt -123.6 15.42 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.505 ' HA ' HG23 ' A' ' 601' ' ' ILE . 29.2 tt0 -50.75 -26.57 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.721 0.296 . . . . 0.0 111.367 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -118.68 27.37 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.214 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.815 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.05 142.92 45.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.315 0.579 . . . . 0.0 112.522 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.1 p -100.61 168.81 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.899 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.49 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.22 -51.96 46.93 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.456 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.84 -47.41 82.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.077 0.465 . . . . 0.0 110.262 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.38 -35.06 73.22 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.245 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 585' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.09 -33.34 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.858 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -41.51 97.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.195 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.796 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.27 -19.2 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.943 178.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 6.8 tmtt? 98.81 20.7 0.01 OUTLIER 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.972 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.992 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.94 125.74 81.32 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.183 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.94 147.75 61.23 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.685 2.257 . . . . 0.0 112.829 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 21.0 mt-10 -56.64 -27.26 58.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -16.1 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.628 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -112.37 -47.05 3.12 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -54.91 -29.27 55.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.586 0.231 . . . . 0.0 111.297 -179.545 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.24 -50.25 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.722 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.94 71.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 601' ' ' ILE . 47.4 mt -59.94 -45.13 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 20.0 t90 -57.06 -46.13 82.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.252 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -56.95 -42.29 79.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.15 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.87 99.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.045 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.752 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.4 mm -66.0 -41.78 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.22 -49.05 78.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -57.81 -38.62 75.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -68.62 -32.0 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -75.56 -31.74 60.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.87 -31.36 70.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 20.5 mt -67.71 -37.9 82.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -42.05 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -140.88 116.66 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -126.83 134.35 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 51.8 p -76.31 111.79 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 19.8 m -88.54 140.4 29.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.79 -44.03 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.504 2.136 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 10.1 m -132.33 160.62 35.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -125.08 55.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.17 -168.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.77 149.29 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.95 -67.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' THR . . . . . 0.408 ' CB ' ' CD ' ' A' ' 620' ' ' PRO . 0.0 OUTLIER -78.15 -61.43 0.58 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 620' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 619' ' ' THR . 71.1 Cg_endo -74.75 142.63 28.94 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.366 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 91.8 p -124.92 135.24 52.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.827 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.56 30.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' TYR . . . . . 0.485 ' HB2' ' HD3' ' A' ' 544' ' ' PRO . 5.4 m-85 -88.86 -51.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' A' ' 543' ' ' TYR . 46.2 Cg_exo -55.89 154.1 28.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.429 2.086 . . . . 0.0 112.211 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.2 p -151.2 118.08 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -158.51 164.38 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.47 ' HB3' HG21 ' A' ' 573' ' ' ILE . 92.0 m -62.72 114.31 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.48 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 77.9 p -105.3 155.89 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.836 HG22 HD12 ' A' ' 562' ' ' LEU . 20.9 mm -63.14 -29.39 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.52 -49.84 78.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.174 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 30.4 t -78.2 -33.2 50.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.3 t80 -64.56 -45.43 87.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.474 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 562' ' ' LEU . 19.4 mt -74.01 -41.67 61.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.669 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.18 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 552' ' ' PHE . 5.4 mt -99.61 -18.13 17.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.96 50.61 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.564 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 553' ' ' LEU . 65.1 m -149.31 41.44 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 12.0 m -61.4 -29.17 69.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 25.1 p -61.22 -25.15 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.3 m -73.77 -19.85 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.426 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.75 -37.15 49.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.629 -179.505 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 567' ' ' THR . 3.4 m-20 -52.41 -36.61 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.81 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 36.3 m-85 -70.67 -34.24 71.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 587' ' ' LEU . 45.6 m-85 -75.42 -48.63 21.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.15 -37.91 84.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.2 p -56.47 -21.49 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.399 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.424 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.18 -13.71 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.637 0.256 . . . . 0.0 111.539 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.92 29.01 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.397 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.895 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -93.66 111.93 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.128 0.464 . . . . 0.0 110.712 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.9 m -115.06 -23.21 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -108.63 150.82 26.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.16 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.216 0.531 . . . . 0.0 109.622 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -55.04 -39.02 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.732 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -57.92 -23.57 53.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.895 HG22 HD22 ' A' ' 570' ' ' LEU . 29.8 pt -121.8 15.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.617 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.487 ' HA ' HG23 ' A' ' 601' ' ' ILE . 9.5 tt0 -50.31 -25.54 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.407 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 29.69 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.288 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.722 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.52 139.9 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.518 0.675 . . . . 0.0 112.683 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 38.6 p -100.67 174.12 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.021 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -27.56 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.58 -50.35 45.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.624 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.9 -48.64 80.88 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 110.17 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -58.11 -37.04 73.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.14 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.44 60.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.119 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 26.6 t -61.18 -43.18 99.29 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.272 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 1.0 OUTLIER -64.73 -15.5 61.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.101 178.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 4.5 ttmm 92.04 25.2 0.02 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.788 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -77.21 129.37 78.21 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.311 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.89 153.94 10.87 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.756 2.304 . . . . 0.0 112.816 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -67.7 -30.0 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.12 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -71.14 -17.02 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -113.9 -35.24 5.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.33 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.9 ptp180 -54.91 -40.5 69.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.92 -48.39 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.382 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -54.77 -42.98 72.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.75 -43.79 94.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.09 -41.3 98.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 576' ' ' ILE . 41.2 mm -65.07 -38.84 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.397 . . . . 0.0 110.888 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.88 -44.28 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.6 -31.0 69.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' HIS . . . . . 0.485 ' HA ' HD12 ' A' ' 607' ' ' LEU . 26.7 t60 -64.97 -34.14 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -60.15 -28.82 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.34 -28.7 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 604' ' ' HIS . 6.1 mt -57.06 -28.52 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.0 -19.53 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 65.97 94.3 0.06 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -78.01 174.28 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 72.0 p -110.64 132.23 54.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.8 m -124.48 140.88 36.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.61 -174.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.475 2.117 . . . . 0.0 112.284 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 60.0 p -164.0 31.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -136.2 149.71 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.0 tp -117.81 100.33 7.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -51.39 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 60.36 108.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 24.5 p -106.51 150.39 39.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -61.58 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.568 2.179 . . . . 0.0 112.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.9 t -165.06 -44.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.865 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.04 104.76 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.315 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' TYR . . . . . 0.524 ' HB2' ' HD3' ' A' ' 544' ' ' PRO . 43.3 m-85 -84.01 -45.84 0.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' PRO . . . . . 0.524 ' HD3' ' HB2' ' A' ' 543' ' ' TYR . 25.0 Cg_exo -62.82 126.21 17.66 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.348 2.032 . . . . 0.0 112.158 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 2.5 m 76.07 -0.95 3.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.58 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 65.57 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 110.968 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.896 ' O ' HG22 ' A' ' 573' ' ' ILE . 34.9 m -75.17 111.83 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.744 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -102.06 156.38 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.273 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 562' ' ' LEU . 4.2 mm -65.33 -28.8 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.95 -49.77 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 68.3 p -77.98 -37.41 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.276 0.56 . . . . 0.0 109.854 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.792 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.6 t80 -60.14 -46.01 91.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.409 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 562' ' ' LEU . 24.5 mt -74.06 -38.76 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.48 69.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -68.58 -28.05 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.792 HD11 ' CE2' ' A' ' 552' ' ' PHE . 6.4 mt -95.8 -18.17 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.73 7.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.602 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.532 ' O ' HD13 ' A' ' 553' ' ' LEU . 61.0 m -143.24 42.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -28.11 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.1 t -60.1 -22.35 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 74.4 m -75.3 -19.64 59.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.507 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.96 -38.86 53.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.409 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 567' ' ' THR . 56.6 m-20 -52.46 -37.07 56.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.5 m-85 -70.9 -33.37 70.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CD2' ' CD1' ' A' ' 587' ' ' LEU . 49.2 m-85 -75.32 -48.81 21.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.1 p -61.66 -38.02 86.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.732 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.3 p -56.24 -21.72 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.408 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.87 -13.65 15.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 111.409 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.32 14.88 15.19 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.816 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.6 OUTLIER -102.11 111.85 24.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.687 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 3.2 p -112.07 -33.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.7 p -99.02 150.55 21.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.896 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.5 tt -72.47 -29.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 109.926 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.51 -35.92 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.34 -24.48 63.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 570' ' ' LEU . 30.9 pt -117.67 15.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.522 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.6 ' HA ' HG23 ' A' ' 601' ' ' ILE . 6.5 tt0 -51.18 -25.69 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.253 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -119.07 30.26 7.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.816 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.69 142.83 42.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.426 0.631 . . . . 0.0 112.565 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.1 p -100.55 170.5 8.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.819 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.44 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 6.3 ttm -62.93 -28.1 69.83 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -51.61 38.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -59.46 -48.02 83.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.174 0.511 . . . . 0.0 110.186 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.81 -35.86 73.54 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.16 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.13 -32.27 61.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 8.4 t -61.08 -43.14 99.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.226 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -62.03 -19.64 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.954 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 ttmm 100.37 20.15 0.0 OUTLIER 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.9 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.98 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -79.88 125.07 82.83 Favored Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.914 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 164.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.729 2.286 . . . . 0.0 113.028 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.5 OUTLIER -67.12 -29.14 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.8 -22.98 55.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.15 -42.66 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.493 ' CA ' HD13 ' A' ' 584' ' ' LEU . 8.2 ptp180 -56.78 -37.56 71.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -66.2 -50.22 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.08 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.115 0.483 . . . . 0.0 110.541 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.453 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 72.5 mt -59.01 -46.79 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.288 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.3 t90 -55.19 -43.84 74.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -58.3 -44.4 88.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.033 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.74 95.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.972 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.7 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.1 mm -67.0 -41.49 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.422 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.9 mt -58.74 -48.99 79.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -30.93 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -77.45 -31.28 53.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.63 -28.74 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -57.53 -30.88 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.68 -38.53 88.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.43 -42.04 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.83 93.16 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -66.69 167.76 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.2 m -147.22 141.69 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 3.4 t -117.91 89.6 34.48 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.44 159.88 9.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.532 2.154 . . . . 0.0 112.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.1 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.031 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.36 154.43 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.33 41.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -83.73 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -120.74 127.18 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 17.0 p -120.01 115.35 33.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.39 77.24 0.95 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.407 2.071 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.8 m 59.83 85.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.7 p -138.6 -60.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -83.47 157.56 64.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.4 134.5 33.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.537 2.158 . . . . 0.0 112.246 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 2.5 m -59.5 -30.74 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.98 134.01 45.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.514 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m -71.74 138.1 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.028 0.442 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.1 p -105.16 153.02 22.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.287 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.716 HG22 HD12 ' A' ' 562' ' ' LEU . 21.8 mm -64.28 -28.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.715 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.26 -49.81 79.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.4 m -78.16 -36.18 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.325 0.584 . . . . 0.0 109.911 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.5 t80 -61.5 -46.59 89.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.502 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 562' ' ' LEU . 23.7 mt -74.08 -39.58 63.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.93 -37.81 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -28.61 68.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.786 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.5 mt -94.88 -18.14 21.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.61 47.24 5.19 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 60.2 m -146.07 44.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -31.16 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -62.98 -26.0 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -70.9 -19.87 62.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.17 -38.74 53.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 111.478 -179.581 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.44 -39.22 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 27.9 m-85 -66.52 -34.55 78.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.747 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.0 m-85 -75.44 -48.23 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 p -58.94 -37.92 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -24.83 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.329 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HG3' HD22 ' A' ' 587' ' ' LEU . 7.1 mm100 -101.17 -13.98 17.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.477 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.11 3.92 38.71 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.03 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.935 HD22 HG22 ' A' ' 576' ' ' ILE . 0.3 OUTLIER -86.72 111.9 21.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.953 0.377 . . . . 0.0 110.508 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 68.4 p -112.79 -27.73 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 5.1 p -107.15 150.62 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.277 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.0 tt -61.82 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.366 0.603 . . . . 0.0 109.502 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.35 -36.88 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.831 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -21.72 42.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.935 HG22 HD22 ' A' ' 570' ' ' LEU . 21.9 pt -123.57 15.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.462 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -50.59 -29.73 11.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.407 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -115.23 24.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.796 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.4 142.14 48.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 112.256 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 34.0 p -100.51 169.29 9.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.035 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.5 mtp -60.99 -29.89 69.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -53.35 31.12 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.254 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 46.1 m-20 -56.87 -50.21 73.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.032 0.444 . . . . 0.0 109.997 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.93 -35.85 67.08 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.17 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -32.16 61.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 10.4 p -65.04 -34.42 78.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -69.05 -13.68 62.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.166 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 tmtt? 98.05 17.08 0.01 OUTLIER 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.89 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.974 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -83.04 120.52 76.17 Favored Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.391 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.99 160.81 9.54 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.84 2.36 . . . . 0.0 112.83 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -65.54 -30.69 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -17.14 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -113.67 -34.21 5.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 111.257 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 5.9 ptp180 -61.04 -33.28 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.99 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -50.11 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.0 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.619 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 45.0 mt -59.73 -47.41 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.526 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.562 ' CH2' HD11 ' A' ' 602' ' ' LEU . 11.4 t90 -57.86 -39.65 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.458 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -47.06 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.393 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.82 98.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.236 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 552' ' ' PHE . 28.4 mm -66.26 -36.19 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.562 HD11 ' CH2' ' A' ' 598' ' ' TRP . 19.9 mt -65.73 -45.34 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.26 73.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -68.08 -39.13 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.38 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -73.22 -31.2 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.69 -36.6 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -42.1 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.58 93.07 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -176.88 87.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -36.45 64.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.79 167.12 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.23 168.95 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.297 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 2.1 m -81.6 65.28 6.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -148.31 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 617' ' ' LEU . 2.5 mp -94.53 -42.33 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 616' ' ' LEU . 3.5 mm? -127.1 130.75 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -112.44 42.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.57 87.64 2.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.62 -41.53 4.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 78.7 p -165.15 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.89 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.2 m -83.01 -175.83 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -76.67 154.21 83.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.83 136.5 27.83 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.603 2.202 . . . . 0.0 112.397 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.52 -20.43 17.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.0 140.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.528 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.1 m -97.06 141.68 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.085 0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 68.5 p -105.29 152.49 22.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.034 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 553' ' ' LEU . 20.0 mm -63.95 -26.84 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.441 ' HA ' HD13 ' A' ' 562' ' ' LEU . 81.1 t -65.29 -49.82 76.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 37.3 t -78.18 -36.81 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.295 0.569 . . . . 0.0 109.806 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.849 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.1 t80 -60.02 -48.4 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 549' ' ' ILE . 36.6 mt -73.97 -38.64 64.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.27 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.849 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.6 mt -96.08 -18.25 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.46 47.65 5.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.436 ' O ' HD13 ' A' ' 553' ' ' LEU . 14.0 m -146.53 41.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -28.68 69.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -25.34 67.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 64.3 m -71.59 -19.89 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.42 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -52.33 -37.72 56.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.481 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 49.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 110.716 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 25.2 m-85 -71.65 -33.7 69.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.589 ' CD1' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.36 -48.75 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 p -61.44 -41.33 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 6.6 p -57.98 -18.94 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.332 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.756 ' HB3' HD12 ' A' ' 570' ' ' LEU . 5.0 tp-100 -106.91 -13.66 15.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.683 0.278 . . . . 0.0 111.456 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 21.5 9.65 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.934 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -110.27 112.64 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.654 0.264 . . . . 0.0 110.387 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.08 -27.9 6.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.869 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 15.8 p -102.18 150.3 23.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 111.493 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.7 tt -64.22 -36.0 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.353 178.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -59.38 -35.84 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.939 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -57.57 -22.2 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.775 ' O ' HG21 ' A' ' 601' ' ' ILE . 31.9 pt -123.56 15.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.538 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.536 ' HA ' HG23 ' A' ' 601' ' ' ILE . 10.5 tp10 -50.6 -31.25 15.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 111.342 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -116.72 27.38 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.08 143.31 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.39 0.614 . . . . 0.0 112.279 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.4 p -100.6 163.96 12.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.87 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.64 63.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -67.66 -52.65 35.45 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.381 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.89 -46.46 84.88 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.134 0.493 . . . . 0.0 110.207 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.971 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.92 -34.62 73.46 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.995 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.08 -32.54 61.5 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.839 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -40.63 96.98 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.209 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -63.79 -17.15 62.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.056 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 100.11 19.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.175 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.971 HD13 HD23 ' A' ' 584' ' ' LEU . 2.2 mp -83.71 119.84 74.28 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.082 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.2 166.35 4.43 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.85 2.367 . . . . 0.0 112.891 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.4 mp0 -64.63 -39.92 94.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -14.86 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.634 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.39 -50.22 2.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 3.8 ptm180 -54.93 -28.36 50.45 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -50.16 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.667 0.27 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.13 71.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.139 0.495 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.418 ' O ' HG12 ' A' ' 601' ' ' ILE . 50.3 mt -60.04 -44.75 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.384 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 602' ' ' LEU . 31.1 t90 -55.88 -46.4 78.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -58.97 -43.03 91.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.335 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.52 96.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.117 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.775 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.3 mm -65.49 -39.48 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.713 HD11 ' CE2' ' A' ' 598' ' ' TRP . 5.8 mt -61.54 -42.13 98.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -45.59 87.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' HIS . . . . . 0.744 ' HA ' HD12 ' A' ' 607' ' ' LEU . 14.3 t60 -66.14 -31.03 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -47.03 86.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -64.58 -31.77 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 604' ' ' HIS . 61.6 mt -65.32 -30.09 70.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.64 -23.64 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -71.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.934 0.397 . . . . 0.0 111.102 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -147.72 -59.02 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.6 t 61.13 31.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 137.97 27.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -77.17 60.05 6.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.582 2.188 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' SER . . . . . 0.511 ' CB ' HD11 ' A' ' 617' ' ' LEU . 0.3 OUTLIER -143.31 156.39 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -102.71 -70.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.59 136.34 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.511 HD11 ' CB ' ' A' ' 614' ' ' SER . 2.7 mp -147.29 -43.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.036 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -34.81 13.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 47.3 p -146.87 86.41 6.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -47.84 24.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.645 2.23 . . . . 0.0 112.217 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 64.2 p -111.36 132.32 54.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 5.4 t -166.05 79.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.73 157.11 74.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 133.35 25.32 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.522 2.148 . . . . 0.0 112.279 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 3.2 m 60.37 164.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.16 -176.63 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 573' ' ' ILE . 71.2 m -64.65 111.93 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.197 0.523 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 74.7 p -105.0 154.6 19.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.147 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -63.51 -26.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.108 0.48 . . . . 0.0 109.874 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.434 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -67.26 -49.99 67.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.157 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 9.1 t -78.14 -32.5 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.97 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.561 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.7 t80 -64.77 -47.29 78.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.658 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -74.03 -39.39 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.591 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.37 74.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.78 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 553' ' ' LEU . 2.8 mt -92.2 -18.07 23.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 89.6 22.82 35.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.747 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.66 50.61 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -28.34 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 9.1 m -58.04 -22.08 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.43 -19.79 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.481 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.98 -36.43 38.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.622 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 567' ' ' THR . 1.0 OUTLIER -52.47 -40.19 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.93 -33.27 75.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.4 m-85 -75.44 -48.28 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 p -58.88 -38.98 80.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 563' ' ' ASP . 28.9 p -55.82 -23.79 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.384 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -103.23 -13.82 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 111.244 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.43 3.82 40.73 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.846 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -83.82 111.9 19.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.2 m -112.05 -28.38 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -109.46 152.91 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.561 HD12 ' CG ' ' A' ' 552' ' ' PHE . 6.7 tt -70.11 -34.98 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -53.59 -40.26 65.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.69 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.671 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.827 ' CG2' HD22 ' A' ' 570' ' ' LEU . 22.2 pt -116.08 15.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.31 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.38 -32.47 11.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.651 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -116.27 29.79 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.96 143.52 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.368 0.604 . . . . 0.0 112.376 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.7 p -100.37 166.54 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.182 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.467 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -59.4 -29.8 67.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.82 -52.4 44.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.237 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 41.5 m-20 -58.68 -52.33 66.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -54.48 -35.36 63.0 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.657 0.742 . . . . 0.0 110.306 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.96 61.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.863 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.7 t -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.109 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.46 -16.57 63.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.917 178.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 2.9 ttmm 100.11 16.37 0.01 OUTLIER 'General case' 0 C--N 1.339 0.133 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.87 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.932 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -81.62 124.18 80.09 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.21 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.65 164.61 2.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.004 2.469 . . . . 0.0 113.175 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -70.14 -32.78 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.57 -20.19 61.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -107.17 -39.3 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 111.403 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.2 ptp180 -54.88 -33.95 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.199 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 595' ' ' HIS . . . . . 0.467 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 0.3 OUTLIER -64.93 -49.97 68.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.749 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.16 73.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.596 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.533 HD12 HG21 ' A' ' 589' ' ' ILE . 72.6 mt -59.83 -46.13 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.518 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.475 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.5 t90 -58.34 -44.91 88.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.31 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.079 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.39 96.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.04 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.741 HG21 ' O ' ' A' ' 576' ' ' ILE . 17.6 mt -60.3 -52.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 598' ' ' TRP . 15.5 mt -60.26 -41.04 92.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.49 -30.95 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -67.54 -29.75 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -77.29 -33.45 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.1 -32.75 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -38.59 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.58 101.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -90.36 151.52 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 60.2 m -148.1 169.04 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 46.3 t -171.82 101.42 0.38 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.67 -41.97 7.55 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.372 2.048 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 29.8 t -72.64 143.15 48.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.2 m80 61.34 179.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 80.7 mt -94.28 170.17 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 617' ' ' LEU . 2.2 pt? -56.83 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.018 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -147.68 -71.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 18.7 m -112.94 97.2 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.22 115.64 2.01 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.528 2.152 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 48.4 m -113.67 115.17 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.88 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 61.5 m -128.42 151.53 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -64.84 161.56 45.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.19 153.96 11.78 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.8 p -70.55 179.07 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 -69.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 51.7 t -95.35 127.35 41.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.014 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.1 p -105.22 160.14 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.097 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.81 HG22 HD12 ' A' ' 562' ' ' LEU . 13.6 mm -66.0 -28.85 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 109.766 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.06 -49.59 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.8 p -78.18 -36.57 47.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.561 . . . . 0.0 110.034 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 556' ' ' LEU . 4.8 t80 -61.21 -50.3 73.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.797 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 562' ' ' LEU . 21.5 mt -73.69 -41.06 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.58 -36.56 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -28.46 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 552' ' ' PHE . 9.8 mt -94.21 -18.06 22.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.246 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.66 46.91 5.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 553' ' ' LEU . 86.8 m -143.68 40.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 50.5 p -60.53 -30.34 69.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -26.59 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.3 m -73.21 -19.86 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.309 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.81 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -51.31 -37.24 46.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.537 -179.592 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -52.47 -38.56 59.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.1 m-85 -67.59 -34.45 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 553' ' ' LEU . 47.4 m-85 -75.52 -48.48 22.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.6 -34.83 74.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -22.54 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.569 ' HG3' HD22 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -106.45 -13.79 15.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 109.13 3.83 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.588 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.809 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -85.31 111.81 20.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.65 -28.44 6.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.5 p -102.8 150.08 23.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.9 tt -62.9 -39.22 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 109.783 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.29 -35.93 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -57.92 -21.82 45.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.809 HG22 HD22 ' A' ' 570' ' ' LEU . 31.3 pt -122.66 15.31 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.471 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.464 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.7 tt0 -52.06 -25.85 9.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.739 0.304 . . . . 0.0 111.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -117.19 25.66 10.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.219 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.785 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.72 140.8 48.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.454 0.645 . . . . 0.0 112.461 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 41.2 p -100.72 171.56 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.935 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -29.54 70.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -52.14 38.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.485 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.17 -48.56 79.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 110.239 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 1.051 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -59.29 -35.0 72.96 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.289 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.05 -33.33 61.71 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.992 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.101 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -61.47 -19.94 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 19.3 ttmt 98.1 23.13 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.911 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 1.051 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -80.83 125.99 78.84 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.37 145.54 78.04 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.636 2.224 . . . . 0.0 112.843 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 3.8 mt-10 -55.24 -23.39 22.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.36 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.16 -15.85 58.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.654 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.91 -46.54 3.11 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.0 -29.31 57.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.575 0.226 . . . . 0.0 111.281 -179.491 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -50.24 60.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.45 75.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 0.0 110.24 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 601' ' ' ILE . 25.6 mt -59.69 -45.81 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.098 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.772 ' CE2' HD11 ' A' ' 602' ' ' LEU . 26.2 t90 -55.86 -45.61 78.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.07 83.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.182 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.86 -38.96 96.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.218 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.703 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.0 mm -68.17 -37.96 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 598' ' ' TRP . 3.3 mt -66.44 -48.86 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.73 -31.51 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -78.01 -34.56 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -76.26 -31.3 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.95 -31.1 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.95 -35.04 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -33.48 20.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.28 88.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.0 -178.25 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 3.2 m -111.23 -32.82 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.3 m -132.32 91.4 31.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.87 -32.6 22.21 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.479 2.119 . . . . 0.0 112.275 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 20.1 m -119.53 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -98.92 112.09 24.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.4 mt 62.63 123.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 617' ' ' LEU . 4.0 mm? -109.0 146.29 34.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -77.67 176.86 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 10.0 t -142.59 137.02 14.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.01 174.45 12.36 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 69.9 m -158.39 -47.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.897 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.29 97.94 3.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -129.59 148.49 69.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.17 130.29 16.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.595 2.196 . . . . 0.0 112.396 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.97 158.91 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.793 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 574' ' ' TYR . 18.8 m-20 -157.76 149.59 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.522 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m -70.09 140.59 52.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 64.8 p -105.31 154.82 19.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.314 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -64.5 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.672 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.405 ' HA ' HD13 ' A' ' 562' ' ' LEU . 60.9 t -65.08 -49.64 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -36.11 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.304 0.573 . . . . 0.0 109.785 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.2 t80 -62.06 -45.51 93.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.425 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 562' ' ' LEU . 18.5 mt -71.73 -40.98 69.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.12 70.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.7 -29.17 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 552' ' ' PHE . 3.5 mt -98.43 -18.12 18.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.71 48.93 4.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.567 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 553' ' ' LEU . 34.0 m -148.44 45.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 4.7 m -60.55 -29.58 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 8.2 m -62.83 -26.78 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -69.77 -19.82 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.415 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.08 -37.58 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.598 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.46 -37.32 56.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 31.1 m-85 -68.79 -34.62 75.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.728 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.5 m-85 -75.68 -48.45 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.85 -36.12 78.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -22.15 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.648 ' HG3' HD22 ' A' ' 587' ' ' LEU . 3.2 mm100 -106.46 -13.9 15.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.336 . . . . 0.0 111.369 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.64 3.77 32.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.868 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -84.8 111.87 20.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.523 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 69.1 p -115.35 -27.17 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.14 146.81 28.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.522 HG21 ' CB ' ' A' ' 547' ' ' CYS . 8.1 tt -60.84 -36.93 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 109.726 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.412 ' CE1' ' OD2' ' A' ' 546' ' ' ASP . 34.1 m-85 -59.96 -33.9 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.24 44.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.802 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.7 pt -123.98 15.19 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.589 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.452 ' HA ' HG23 ' A' ' 601' ' ' ILE . 22.7 tt0 -50.66 -26.57 5.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 111.467 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -118.81 29.45 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.82 140.96 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.376 0.608 . . . . 0.0 112.473 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.5 p -100.37 171.77 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.062 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' MET . . . . . 0.425 ' HE3' ' HB2' ' A' ' 581' ' ' MET . 0.0 OUTLIER -62.41 -29.04 70.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.292 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -51.21 42.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -59.58 -47.39 85.76 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 110.142 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 1.018 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.11 -35.93 74.28 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.132 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.37 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.945 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 34.5 t -61.74 -42.0 98.39 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.823 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.9 -18.67 63.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.906 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.1 tttm 97.73 21.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.812 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 1.018 HD13 HD23 ' A' ' 584' ' ' LEU . 1.5 mp -78.93 125.79 83.33 Favored Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.317 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.54 159.69 6.13 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.792 2.328 . . . . 0.0 113.009 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.0 tt0 -67.62 -28.78 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -18.43 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.471 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.18 -34.94 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 111.327 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.9 ptp180 -54.88 -38.98 68.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.334 . . . . 0.0 111.085 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -50.07 66.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -59.5 -52.02 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.099 0.476 . . . . 0.0 110.597 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.728 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 63.7 mt -59.78 -49.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.263 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 20.9 t90 -55.8 -41.35 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.368 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -59.71 -43.19 94.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.28 -42.19 99.71 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.12 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.0 mm -63.27 -42.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 15.8 mt -67.97 -44.26 77.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -35.18 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -61.75 -33.03 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -75.59 -31.67 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -80.8 -33.12 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.3 -25.27 65.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -73.88 -30.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -102.13 84.11 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.57 165.36 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 60.2 p -115.28 -44.73 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.3 m -63.89 147.85 95.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 126.21 11.85 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.572 2.182 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 1.3 m -144.81 -71.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.98 96.24 6.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 9.0 mt -131.94 122.88 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 94.3 mt -91.98 118.66 30.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -102.81 146.28 28.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 1.5 m -64.35 111.49 5.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.54 179.62 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.454 2.103 . . . . 0.0 112.232 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 6.8 m -150.54 141.54 22.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.4 m -129.91 31.59 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.77 160.66 0.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.99 137.2 53.13 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.565 2.177 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 14.8 p -136.7 170.67 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -159.34 -68.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 573' ' ' ILE . 8.9 m -85.17 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.5 p -105.38 154.34 20.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.112 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.771 HG22 HD12 ' A' ' 562' ' ' LEU . 21.2 mm -63.67 -28.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' VAL . . . . . 0.409 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -63.77 -49.81 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.1 m -78.12 -36.59 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.3 t80 -60.69 -46.76 89.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.429 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -73.98 -39.35 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.47 -37.16 67.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -30.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.709 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 552' ' ' PHE . 8.1 mt -92.08 -18.15 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.82 41.83 7.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.0 m -141.2 45.89 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 34.2 t -59.86 -30.17 68.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.7 t -62.78 -27.81 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 3.3 m -67.2 -19.9 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.366 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -54.21 -36.48 63.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.655 0.264 . . . . 0.0 111.374 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 567' ' ' THR . 4.3 m-20 -52.47 -36.51 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 35.5 m-85 -70.55 -33.98 71.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.817 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 587' ' ' LEU . 52.0 m-85 -75.27 -48.57 22.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.4 p -60.01 -42.82 95.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 563' ' ' ASP . 27.5 p -58.1 -20.02 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -105.0 -13.6 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.64 0.257 . . . . 0.0 111.408 -179.78 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.22 28.13 6.6 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.851 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.851 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -117.8 113.44 21.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.1 p -118.54 -24.91 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.854 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.88 148.33 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.416 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.8 tt -64.33 -38.39 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 109.658 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -55.63 -37.14 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.779 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.19 45.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 576' ' ' ILE . . . . . 0.756 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.2 pt -123.98 15.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.649 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' GLU . . . . . 0.48 ' HA ' HG23 ' A' ' 601' ' ' ILE . 40.9 tp10 -50.16 -30.41 11.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -119.76 29.92 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' TYR . . . . . 0.851 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.4 144.45 46.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 112.409 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.56 165.79 11.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.999 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -30.03 68.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.95 -52.95 36.65 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 40.0 m-20 -57.49 -50.27 73.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.062 0.458 . . . . 0.0 110.187 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -56.19 -35.91 67.8 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.111 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.01 61.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.005 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -36.22 83.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.223 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.7 OUTLIER -68.7 -12.43 61.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.261 178.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 588' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 1.3 tptt 97.0 17.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.157 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' ILE . . . . . 0.983 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.75 124.89 79.18 Favored Pre-proline 0 CA--C 1.531 0.242 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.022 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.01 166.68 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.838 2.358 . . . . 0.0 113.128 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 11.2 tt0 -72.65 -27.47 62.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.193 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -77.85 -23.52 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.57 -41.45 6.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' ARG . . . . . 0.5 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.7 ptp180 -55.56 -32.39 62.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 -50.08 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.43 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.204 0.526 . . . . 0.0 110.474 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' ILE . . . . . 0.46 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 65.7 mt -59.77 -48.26 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 18.2 t90 -55.94 -42.13 75.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -44.88 92.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.56 97.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.14 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ILE . . . . . 0.756 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.2 mm -66.81 -46.55 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 10.9 mt -58.92 -42.96 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.82 -38.04 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' HIS . . . . . 0.651 ' HA ' HD12 ' A' ' 607' ' ' LEU . 30.6 t60 -63.56 -38.11 89.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -65.14 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -33.1 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 604' ' ' HIS . 12.3 mt -67.25 -37.06 82.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.24 -39.86 16.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.9 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -48.23 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.25 113.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.93 87.17 41.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.82 -42.81 55.45 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.519 2.146 . . . . 0.0 112.392 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 2.4 m -158.28 115.2 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 60.54 -177.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.2 mt -114.96 -175.17 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.38 156.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 44.5 ttm-85 -147.45 105.82 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 620' ' ' PRO . 0.2 OUTLIER -71.78 -52.42 8.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 620' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 619' ' ' THR . 68.2 Cg_endo -74.66 131.06 14.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.353 2.035 . . . . 0.0 112.455 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 30.7 t -146.75 153.19 39.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.873 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.481 ' HB3' HG21 ' A' ' 573' ' ' ILE . 63.1 m . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 121.063 0.459 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 p -105.28 155.53 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.271 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.684 HG22 HD12 ' A' ' 562' ' ' LEU . 20.1 mm -64.11 -27.86 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 79.2 t -64.58 -49.66 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -77.87 -36.21 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.345 0.593 . . . . 0.0 109.801 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.8 t80 -61.36 -45.98 92.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.412 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.625 HD12 HD12 ' A' ' 562' ' ' LEU . 30.6 mt -74.06 -38.5 63.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.56 -39.65 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.781 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -65.03 -29.34 70.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.728 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.9 mt -93.55 -18.24 22.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.94 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 82.1 m -151.17 45.07 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.5 m -61.18 -27.22 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -62.78 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.215 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.62 -19.76 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.411 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.97 -37.91 47.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 111.534 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 567' ' ' THR . 6.0 m-20 -52.47 -37.07 56.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 588' ' ' LYS . 37.8 m-85 -70.48 -33.72 71.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CD1' HG21 ' A' ' 549' ' ' ILE . 44.5 m-85 -75.38 -48.83 21.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.5 p -60.98 -39.52 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 563' ' ' ASP . 4.5 p -55.72 -20.82 15.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.551 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 570' ' ' LEU . 2.7 tp-100 -109.35 -13.7 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.412 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 107.9 28.21 4.83 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.622 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.857 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.0 OUTLIER -118.48 114.92 23.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.022 0.411 . . . . 0.0 110.767 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 4.6 p -118.52 -22.05 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.559 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.6 p -108.94 147.86 31.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.726 0.298 . . . . 0.0 111.321 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 547' ' ' CYS . 8.0 tt -62.4 -38.68 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.329 0.585 . . . . 0.0 109.83 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -56.69 -36.67 69.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -22.12 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.771 ' CG2' HD22 ' A' ' 570' ' ' LEU . 28.6 pt -123.98 15.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.426 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.459 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.8 tt0 -49.86 -28.75 6.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.506 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -118.62 29.04 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.185 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.857 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.25 143.75 42.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.464 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 48.0 p -100.37 165.64 11.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.017 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.505 ' HE2' ' CG ' ' A' ' 594' ' ' ARG . 6.3 ttm -59.49 -28.71 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -52.19 36.0 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.431 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 38.3 m-20 -58.32 -46.89 85.32 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.033 0.444 . . . . 0.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.959 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.01 -36.54 75.1 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.161 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.038 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 t -62.41 -40.26 95.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.761 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -63.84 -17.59 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.287 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 5.6 ttmt 101.16 17.28 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.925 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.82 124.21 83.46 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.087 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.84 161.6 4.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.797 2.331 . . . . 0.0 113.028 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.466 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.3 tp10 -67.83 -31.6 71.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -71.75 -20.83 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -107.39 -40.02 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.286 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.505 ' CG ' ' HE2' ' A' ' 581' ' ' MET . 8.6 ptp180 -55.37 -36.53 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.17 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.94 -51.77 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.369 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.533 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 68.3 mt -59.1 -47.8 88.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.349 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -56.54 -41.0 76.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -59.76 -44.35 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.123 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.96 -41.4 99.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.147 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.0 mm -64.49 -43.33 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.22 -44.49 95.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.013 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.509 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.075 0.464 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.26 152.19 23.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.264 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -63.79 -26.92 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.56 -49.69 79.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.07 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.235 0.54 . . . . 0.0 109.777 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.651 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.0 OUTLIER -61.85 -45.45 93.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.363 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 562' ' ' LEU . 26.2 mt -74.11 -39.31 63.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.562 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.99 71.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.19 -28.73 69.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.651 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.7 mt -97.52 -18.15 19.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.17 48.42 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.521 ' O ' HD13 ' A' ' 553' ' ' LEU . 97.3 m -148.41 44.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -27.69 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -23.31 66.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.6 m -72.11 -19.87 61.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.43 -37.6 57.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.51 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 567' ' ' THR . 0.7 OUTLIER -52.41 -36.62 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.007 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.1 m-85 -70.82 -33.94 71.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.511 ' CD2' HG21 ' A' ' 549' ' ' ILE . 46.3 m-85 -75.39 -48.77 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.977 0.418 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.5 p -60.7 -41.01 94.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 563' ' ' ASP . 3.0 p -57.89 -19.64 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.327 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.723 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.22 -13.6 15.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.669 0.271 . . . . 0.0 111.461 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.29 28.03 6.26 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.772 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 576' ' ' ILE . 1.2 mp -119.19 114.07 21.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.0 p -117.05 -28.32 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.72 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 13.9 p -99.62 151.65 20.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 111.385 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.509 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -66.59 -37.29 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.343 0.592 . . . . 0.0 109.493 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -21.98 42.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.6 pt -123.57 15.27 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.0 OUTLIER -50.36 -27.77 6.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.31 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.25 29.21 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.735 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.19 141.55 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.459 0.647 . . . . 0.0 112.501 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.9 p -100.51 170.04 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.948 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -28.32 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -50.73 48.46 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.392 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.76 -49.96 75.38 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.64 -34.51 69.41 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.936 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.29 -33.13 61.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.32 83.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.98 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -70.85 -8.88 55.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.041 178.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 587' ' ' LEU . 0.2 OUTLIER 85.31 24.87 0.08 Allowed 'General case' 0 C--N 1.338 0.09 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.21 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.949 HD13 HD23 ' A' ' 584' ' ' LEU . 1.4 mp -81.11 129.84 65.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.176 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.25 153.9 15.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.899 2.399 . . . . 0.0 113.173 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -67.19 -28.16 67.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -74.43 -24.91 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.44 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.76 -36.11 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.295 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.1 ptp180 -54.72 -37.69 66.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.991 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -50.01 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.665 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.39 -52.07 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.43 ' O ' HG12 ' A' ' 601' ' ' ILE . 66.9 mt -60.18 -48.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.623 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 23.2 t90 -55.78 -41.78 74.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -59.23 -45.65 90.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.214 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.68 95.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.067 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 30.3 mm -65.99 -38.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.623 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 20.6 mt -66.62 -42.04 87.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.068 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.836 ' O ' HG22 ' A' ' 573' ' ' ILE . 1.8 t . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 55.1 p -104.82 158.23 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.349 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.557 HG22 HD12 ' A' ' 562' ' ' LEU . 5.3 mm -65.59 -28.97 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.22 -49.71 79.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -35.21 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.239 0.542 . . . . 0.0 110.008 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.762 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.8 t80 -62.4 -45.64 92.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.504 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 562' ' ' LEU . 17.9 mt -74.06 -41.6 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.14 -37.23 69.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -64.22 -29.82 70.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.3 mt -97.95 -18.09 18.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 87.34 47.24 4.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.641 ' O ' HD13 ' A' ' 553' ' ' LEU . 53.2 m -143.76 42.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 2.6 m -61.26 -29.27 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.38 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.1 m -70.65 -19.77 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.86 -37.03 40.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -52.54 -36.5 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.7 m-85 -70.6 -33.92 71.59 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.915 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.495 ' CD1' HG21 ' A' ' 549' ' ' ILE . 47.5 m-85 -75.29 -48.84 21.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.41 -37.51 83.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -21.61 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.45 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.529 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -108.05 -13.53 14.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.63 0.253 . . . . 0.0 111.363 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.72 10.5 24.81 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -93.97 111.97 23.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.033 0.416 . . . . 0.0 110.691 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 50.9 p -110.04 -38.11 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.2 p -96.53 153.7 17.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.574 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.836 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.3 tt -78.49 -26.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.82 -39.72 78.29 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.922 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.51 -28.44 65.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.77 ' CG2' HD22 ' A' ' 570' ' ' LEU . 20.1 pt -111.42 15.05 8.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.213 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.71 -29.09 24.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -116.69 26.76 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -71.3 141.65 50.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.347 0.594 . . . . 0.0 112.28 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.0 p -100.55 166.91 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.049 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.425 ' HE1' ' HG3' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -58.65 -30.42 67.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -67.39 -52.09 44.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.403 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -58.45 -47.84 82.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.46 -35.1 71.64 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.702 0.763 . . . . 0.0 109.992 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . 0.571 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -75.21 -31.85 61.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.762 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.7 t -64.14 -36.77 85.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.098 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.76 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.89 -13.03 61.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.826 178.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 94.1 19.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.115 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -80.65 123.99 82.22 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.791 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 149.91 39.98 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.768 2.312 . . . . 0.0 113.047 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.5 tt0 -56.92 -32.32 65.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.09 -15.63 62.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.415 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -112.61 -48.54 3.0 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.571 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.68 -26.21 43.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.57 0.224 . . . . 0.0 111.353 -179.304 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -50.25 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.32 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.0 110.312 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 589' ' ' ILE . 51.5 mt -60.68 -43.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.213 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.45 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.7 t90 -58.71 -45.71 88.93 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.046 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -55.8 -43.5 76.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.24 97.98 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.746 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.562 HG21 ' O ' ' A' ' 576' ' ' ILE . 19.4 mt -61.7 -41.36 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.336 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.04 -42.99 95.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.495 ' CB ' HG21 ' A' ' 573' ' ' ILE . 4.1 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.982 0.42 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 55.1 p -105.29 153.55 21.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.34 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.832 HG22 HD12 ' A' ' 562' ' ' LEU . 20.7 mm -64.36 -28.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.2 -49.79 81.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 p -78.23 -35.46 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.247 0.546 . . . . 0.0 110.178 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.72 ' CE1' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -61.6 -49.67 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.592 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 562' ' ' LEU . 17.3 mt -73.15 -41.04 64.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.94 -35.58 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -28.44 64.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 552' ' ' PHE . 70.1 mt -92.62 -18.16 23.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.77 44.08 5.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.567 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.502 ' O ' HD13 ' A' ' 553' ' ' LEU . 99.3 m -147.05 43.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 56.0 p -61.26 -28.52 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 87.4 p -62.05 -25.83 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -71.07 -19.99 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.488 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.58 -35.68 54.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.9 m-85 -70.48 -35.02 73.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' A' ' 587' ' ' LEU . 53.3 m-85 -75.31 -48.62 22.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 p -59.33 -44.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 563' ' ' ASP . 30.9 p -57.7 -19.86 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.485 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.782 ' HB3' HD12 ' A' ' 570' ' ' LEU . 9.1 tp-100 -103.66 -13.59 16.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.663 0.268 . . . . 0.0 111.522 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.42 3.98 37.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.984 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.807 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -94.37 115.98 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.4 p -119.86 -24.09 6.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.9 p -107.15 149.39 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.349 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -64.42 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -56.93 -36.18 69.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.755 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -57.83 -21.86 44.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.3 pt -121.62 15.54 5.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.556 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.22 -26.02 16.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 111.202 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -117.79 25.07 10.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.807 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.8 142.53 44.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.418 0.627 . . . . 0.0 112.472 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 27.5 p -100.55 165.81 11.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.845 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.429 ' HE3' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -58.33 -29.85 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.86 -51.15 51.54 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.298 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -59.09 -44.78 91.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 110.328 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 1.003 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.0 -35.7 77.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.647 0.736 . . . . 0.0 109.782 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.37 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.837 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.12 98.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.068 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.788 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.86 -19.79 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.883 178.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 15.2 tttm 100.39 20.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.917 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 1.003 HD13 HD23 ' A' ' 584' ' ' LEU . 1.6 mp -78.94 127.12 80.82 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.325 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 589' ' ' ILE . 53.9 Cg_exo -53.32 160.95 4.23 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.84 2.36 . . . . 0.0 112.949 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.2 OUTLIER -72.2 -25.61 61.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.83 -16.63 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -113.57 -34.14 5.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.2 ptp180 -54.88 -38.37 67.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.218 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -50.07 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.44 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.403 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 41.0 mt -60.11 -49.46 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.3 t90 -55.01 -41.84 71.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.81 -44.96 93.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.24 -40.3 97.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.178 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.744 HG21 ' O ' ' A' ' 576' ' ' ILE . 38.3 mm -65.14 -46.55 90.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 598' ' ' TRP . 13.5 mt -64.05 -35.55 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.521 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 78.8 p -105.41 154.02 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 562' ' ' LEU . 9.8 mm -64.62 -27.16 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 109.711 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.33 -49.58 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -35.24 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.158 0.504 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -62.04 -50.97 69.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.346 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 562' ' ' LEU . 38.4 mt -71.3 -38.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.25 72.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -28.84 70.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.829 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.35 -18.23 21.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.97 30.85 24.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.695 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.9 p -133.65 41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 p -56.84 -22.56 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 597' ' ' ILE . 32.5 m -74.64 -19.61 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.549 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.72 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.78 -37.69 43.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.569 -179.391 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.56 -37.39 57.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.555 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 33.4 m-85 -70.68 -33.27 70.74 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' A' ' 587' ' ' LEU . 45.4 m-85 -75.15 -48.75 22.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.4 p -60.57 -40.98 93.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.45 -20.98 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.374 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.94 -13.62 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.46 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.58 6.36 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.822 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.848 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -114.6 112.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 7.8 m -118.64 -27.59 5.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.839 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 4.9 p -101.59 146.89 27.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.311 . . . . 0.0 111.425 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.521 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -62.21 -36.97 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.314 0.578 . . . . 0.0 109.667 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.09 -35.58 71.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.914 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -22.09 42.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.789 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.4 pt -124.01 15.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.613 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.471 ' HA ' HG23 ' A' ' 601' ' ' ILE . 26.8 tt0 -50.26 -31.13 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -118.49 27.76 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.177 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.848 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.01 144.54 48.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 0.0 112.302 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.65 162.34 12.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.912 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -55.88 -31.1 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.92 -53.19 34.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.552 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 45.3 m-20 -56.62 -47.57 79.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.042 0.449 . . . . 0.0 110.315 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.93 -35.81 73.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . 0.527 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -74.96 -32.44 61.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.986 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.1 t -63.3 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.312 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.718 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.21 -16.15 63.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.179 179.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 41.6 tttt 101.53 17.2 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.25 0.62 . . . . 0.0 112.084 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 584' ' ' LEU . 2.4 mp -84.01 122.88 76.09 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 120.071 -0.651 . . . . 0.0 110.043 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 163.73 10.67 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.678 2.252 . . . . 0.0 112.73 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 36.9 tt0 -64.07 -35.72 81.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -67.2 -14.83 63.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.419 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -113.71 -50.22 2.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.527 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.78 -31.71 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.514 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . 0.543 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 1.6 t-160 -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 110.779 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.55 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.114 0.483 . . . . 0.0 110.567 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.419 ' O ' HG12 ' A' ' 601' ' ' ILE . 53.9 mt -59.14 -43.13 88.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.326 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.612 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.1 t90 -58.1 -44.84 87.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.269 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -43.04 86.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.146 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.2 -41.9 98.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.959 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 576' ' ' ILE . 31.2 mm -65.57 -44.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.612 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 8.0 mt -60.47 -45.88 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.046 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.481 ' CB ' HG21 ' A' ' 573' ' ' ILE . 11.8 m . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.02 0.438 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 59.6 p -105.08 154.46 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.194 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.75 HG21 ' CD1' ' A' ' 565' ' ' PHE . 17.9 mm -64.69 -27.54 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.44 ' HA ' HD13 ' A' ' 562' ' ' LEU . 67.6 t -65.0 -49.75 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 99.6 p -77.2 -37.54 53.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.351 0.596 . . . . 0.0 109.643 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.12 -45.96 91.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.399 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 549' ' ' ILE . 27.7 mt -72.83 -39.14 66.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -54.9 -38.69 67.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -30.41 71.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.642 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.9 mt -91.4 -18.14 24.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.46 41.45 6.91 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 66.6 m -151.15 48.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 65.3 m -60.54 -28.96 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 62.6 p -59.6 -27.03 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.105 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 597' ' ' ILE . 12.3 m -61.0 -19.9 61.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.357 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -53.47 -38.52 63.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.513 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 567' ' ' THR . 63.0 m-20 -52.35 -35.94 52.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 32.6 m-85 -71.32 -34.23 70.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.75 ' CD1' HG21 ' A' ' 549' ' ' ILE . 46.7 m-85 -75.17 -48.7 22.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.1 p -60.69 -41.41 95.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 563' ' ' ASP . 16.5 p -57.18 -20.29 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.692 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.9 tp-100 -106.53 -13.68 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.511 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 104.83 27.96 5.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.684 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.824 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -120.14 119.59 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.81 -24.0 4.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.855 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.4 p -106.6 149.16 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.303 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.1 tt -65.74 -40.2 87.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.166 0.507 . . . . 0.0 109.876 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.93 -38.48 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.97 -21.89 46.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.764 ' CG2' HD22 ' A' ' 570' ' ' LEU . 23.2 pt -122.82 15.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.505 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.537 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.4 tt0 -52.31 -26.61 12.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.219 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.76 26.28 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.824 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.75 143.66 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.431 0.634 . . . . 0.0 112.33 -179.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.6 p -100.5 165.95 11.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.98 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.1 mtp -59.16 -29.47 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -67.26 -52.5 40.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.287 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -57.68 -50.45 73.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.124 0.488 . . . . 0.0 110.12 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.63 -36.32 66.87 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.151 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.29 61.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.963 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 m -65.83 -32.78 74.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.195 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.751 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -72.23 -9.75 58.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 95.99 14.9 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.162 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.958 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.62 119.89 76.59 Favored Pre-proline 0 CA--C 1.53 0.208 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.316 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.6 166.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.853 2.369 . . . . 0.0 112.772 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.456 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.1 tt0 -66.29 -44.45 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.175 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.09 -19.62 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.417 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.78 -43.34 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.661 0.267 . . . . 0.0 111.405 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.0 ptp180 -56.56 -33.84 66.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -50.04 72.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.72 65.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.574 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 67.2 mt -58.85 -43.37 88.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.564 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.427 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 16.8 t90 -59.67 -45.51 91.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -42.49 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.477 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.24 94.72 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.207 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.69 HG21 ' O ' ' A' ' 576' ' ' ILE . 34.1 mm -63.97 -33.09 59.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.427 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.0 mt -67.23 -45.42 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.99 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.445 ' HB3' HG21 ' A' ' 573' ' ' ILE . 44.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.027 0.442 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 85.6 p -105.22 154.12 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.065 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.505 HG21 ' CD2' ' A' ' 565' ' ' PHE . 4.2 mm -65.27 -26.0 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 95.0 t -65.89 -49.64 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.91 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 m -77.78 -36.09 50.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.529 . . . . 0.0 109.806 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.925 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.332 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 562' ' ' LEU . 20.8 mt -72.84 -41.36 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.97 -37.59 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.94 -28.97 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.894 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.925 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.3 mt -95.12 -18.13 21.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.19 44.86 6.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.516 ' O ' HD13 ' A' ' 553' ' ' LEU . 23.3 m -147.46 41.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -27.06 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -23.81 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 56.7 m -73.2 -19.87 61.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.436 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.87 -37.48 43.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.657 0.265 . . . . 0.0 111.519 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 2.5 m-20 -52.56 -36.35 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.925 0.393 . . . . 0.0 110.641 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 27.6 m-85 -72.16 -33.16 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.864 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.25 -48.8 21.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.945 0.402 . . . . 0.0 110.743 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.4 p -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.815 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 5.5 p -58.1 -19.42 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.201 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.706 ' HB3' HD12 ' A' ' 570' ' ' LEU . 10.0 tp-100 -106.5 -13.64 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.11 6.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.644 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.827 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -118.6 116.88 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.783 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 6.6 m -122.52 -28.43 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.626 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.3 p -101.09 145.58 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.487 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.9 tt -63.59 -39.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 109.921 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -55.61 -37.49 68.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.71 -23.32 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 43.1 pt -120.9 15.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.451 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.514 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.6 tt0 -51.86 -26.45 10.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.756 0.312 . . . . 0.0 111.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . 0.448 ' CD2' ' HB3' ' A' ' 577' ' ' GLU . 5.5 m-70 -119.38 27.55 8.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.827 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.89 142.89 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.382 0.61 . . . . 0.0 112.32 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.8 p -100.48 167.98 10.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.993 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -29.87 69.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.04 -51.94 41.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.258 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -58.54 -47.85 82.84 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.062 0.458 . . . . 0.0 110.212 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.93 -34.11 72.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.15 -33.81 61.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.924 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -41.41 97.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.193 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.66 -18.83 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.166 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 22.8 tttp 101.22 19.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.273 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 2.6 mp -85.65 116.16 64.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.27 152.12 55.37 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.984 2.456 . . . . 0.0 113.157 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 9.1 tt0 -50.65 -36.55 36.04 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.274 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -15.05 60.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -119.51 -47.09 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.573 ' HB3' HG22 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -57.13 -31.54 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.565 0.221 . . . . 0.0 111.35 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 0.8 OUTLIER -65.25 -50.11 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.592 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.46 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.055 0.455 . . . . 0.0 110.431 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 601' ' ' ILE . 70.3 mt -58.69 -45.17 91.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.282 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.425 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 21.5 t90 -57.27 -42.48 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -59.29 -44.15 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.217 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.41 -41.11 98.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.096 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.7 mm -66.3 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.791 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.6 mt -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.504 ' HB3' HG21 ' A' ' 573' ' ' ILE . 80.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.084 0.469 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.7 p -105.4 157.94 16.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.457 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.725 HG22 HD12 ' A' ' 562' ' ' LEU . 12.2 mm -65.65 -27.52 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.15 -49.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 29.5 t -77.17 -38.11 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.689 ' CE2' HD11 ' A' ' 556' ' ' LEU . 0.7 OUTLIER -59.87 -45.83 91.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.418 179.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 562' ' ' LEU . 24.4 mt -74.05 -37.92 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.646 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.82 71.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 555' ' ' ARG . 26.4 ttm105 -67.23 -27.12 66.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.689 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.2 mt -99.19 -18.08 17.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 83.45 46.89 5.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.524 ' O ' HD13 ' A' ' 553' ' ' LEU . 94.5 m -144.68 43.38 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -62.25 -28.39 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.0 t -60.23 -22.37 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.9 m -75.73 -19.98 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -51.83 -38.1 54.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.58 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 567' ' ' THR . 0.8 OUTLIER -52.3 -36.67 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.98 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CB ' HG13 ' A' ' 589' ' ' ILE . 56.9 m-85 -71.0 -33.88 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.431 ' CD1' ' CD1' ' A' ' 587' ' ' LEU . 54.8 m-85 -75.34 -48.52 22.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.5 p -60.45 -40.67 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 563' ' ' ASP . 12.6 p -57.56 -21.33 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.713 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.13 -13.56 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.372 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.0 6.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.611 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.792 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -115.53 111.97 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.732 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 -24.28 6.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.654 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.6 p -102.67 144.18 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.297 . . . . 0.0 111.281 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 552' ' ' PHE . 6.7 tt -65.85 -38.31 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.153 0.502 . . . . 0.0 110.072 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.51 -36.08 68.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.552 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -26.46 62.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.706 ' O ' HG21 ' A' ' 601' ' ' ILE . 26.0 pt -116.31 15.19 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -51.73 -26.59 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.71 0.291 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -121.16 27.09 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.792 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -70.26 139.96 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.446 0.641 . . . . 0.0 112.283 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.6 p -100.6 170.07 8.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.156 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.552 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 2.0 ttm -62.09 -27.72 69.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.54 -49.51 53.73 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.429 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.44 -49.37 75.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.24 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.8 -35.9 71.48 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.643 0.735 . . . . 0.0 109.853 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.31 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.976 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.07 95.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.8 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.2 -15.2 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 87.96 26.75 0.03 OUTLIER 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.813 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 1.085 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -75.35 127.73 85.7 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.233 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.86 151.47 20.02 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.803 2.335 . . . . 0.0 112.656 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 594' ' ' ARG . 76.2 mt-10 -67.21 -29.72 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -64.03 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.279 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -105.55 -24.45 12.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.552 ' HD2' ' HE2' ' A' ' 581' ' ' MET . 27.1 ttm180 -54.91 -53.99 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.51 95.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.42 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.447 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 39.1 mt -62.03 -46.43 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.313 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.149 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -59.95 -43.25 95.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.933 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.5 -40.74 98.15 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.882 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.706 HG21 ' O ' ' A' ' 576' ' ' ILE . 39.1 mm -66.53 -37.43 79.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.396 . . . . 0.0 110.75 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.56 -49.15 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.482 ' HB3' HG21 ' A' ' 573' ' ' ILE . 43.4 t . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.15 0.5 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.7 p -105.4 156.76 17.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.709 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -65.07 -27.93 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.54 -49.93 78.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.6 t -77.53 -37.39 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -60.38 -46.12 91.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.379 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 562' ' ' LEU . 23.9 mt -71.29 -42.91 68.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.1 -34.61 63.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.679 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -71.45 -30.53 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 552' ' ' PHE . 55.8 mt -92.05 -18.04 24.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.47 44.74 5.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.7 m -151.18 47.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 45.2 t -60.87 -28.85 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 3.1 m -62.85 -26.78 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 5.4 m -64.7 -19.78 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.377 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.6 -37.5 63.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.635 0.255 . . . . 0.0 111.336 -179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 567' ' ' THR . 2.8 m-20 -52.45 -35.47 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.752 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 29.5 m-85 -71.96 -34.36 68.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.6 m-85 -75.22 -48.75 21.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 18.3 p -60.87 -41.66 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.71 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 563' ' ' ASP . 9.2 p -57.96 -20.06 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.305 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.639 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.5 tp-100 -105.5 -13.62 15.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 28.06 6.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.61 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.843 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.7 mp -120.7 119.25 32.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.707 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 74.0 p -120.53 -29.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.682 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.8 p -101.65 154.7 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 547' ' ' CYS . 4.8 tt -69.83 -39.5 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -54.06 -38.61 65.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.999 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -22.33 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.764 ' O ' HG21 ' A' ' 601' ' ' ILE . 48.4 pt -120.62 15.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.59 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 601' ' ' ILE . 3.3 tt0 -51.28 -27.6 9.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.72 0.295 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.48 28.81 7.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.843 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.27 143.04 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.325 0.583 . . . . 0.0 112.372 -179.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 30.2 p -100.38 166.62 10.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.03 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.73 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.73 -51.89 43.93 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.285 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.53 -49.97 75.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.142 0.496 . . . . 0.0 110.09 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.963 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.01 -35.22 68.98 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.384 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . 0.504 ' HB2' ' NH1' ' A' ' 594' ' ' ARG . . . -75.07 -32.89 61.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.962 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -36.81 85.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.383 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.713 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.31 -15.08 63.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.4 tttt 101.08 16.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.241 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.963 HD13 HD23 ' A' ' 584' ' ' LEU . 2.9 mp -83.88 116.36 64.36 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.076 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.63 160.2 9.84 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.029 2.486 . . . . 0.0 113.308 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.644 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.7 OUTLIER -61.9 -24.51 66.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.203 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.53 -17.47 59.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.786 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -116.32 -42.34 3.04 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.8 ptp180 -54.82 -29.56 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 111.171 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -50.13 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.51 79.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.162 0.506 . . . . 0.0 110.261 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.668 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 70.4 mt -60.2 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.294 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.9 t90 -56.16 -42.36 76.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -59.18 -44.83 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.357 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.18 98.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.189 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.764 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.8 mm -64.9 -35.84 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.48 -44.97 77.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 36.2 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.14 0.495 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 52.5 p -105.2 159.73 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.196 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.744 HG22 HD12 ' A' ' 562' ' ' LEU . 13.4 mm -65.18 -27.8 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.19 -49.74 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.0 m -78.12 -36.83 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.298 0.571 . . . . 0.0 109.935 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.92 -47.7 85.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.547 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 562' ' ' LEU . 29.2 mt -74.15 -38.98 63.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -27.81 65.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 552' ' ' PHE . 7.3 mt -94.94 -18.16 21.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.249 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.18 47.76 4.84 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 553' ' ' LEU . 11.6 m -148.4 43.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -28.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -25.51 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.405 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 8.0 m -69.2 -20.04 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.82 -38.42 61.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.448 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.41 -36.12 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 37.6 m-85 -71.09 -34.15 70.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 549' ' ' ILE . 49.0 m-85 -75.23 -48.61 22.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 p -60.49 -41.15 93.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.9 p -57.23 -20.7 28.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.673 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.2 OUTLIER -106.15 -13.47 15.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.355 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.0 27.98 5.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.597 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.797 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -118.23 115.88 25.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.758 0.314 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -29.75 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.635 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -101.24 150.91 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.288 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 552' ' ' PHE . 5.7 tt -66.22 -40.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.418 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 21.4 m-85 -54.37 -35.73 63.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.794 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -25.79 61.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.758 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.9 pt -117.2 15.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.498 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -50.53 -26.79 5.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.674 0.273 . . . . 0.0 111.386 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -119.71 27.73 8.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.797 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.92 142.44 44.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 112.494 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.8 p -100.69 168.46 9.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.89 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.417 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -61.71 -29.28 69.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.5 -52.79 34.94 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.29 -45.86 83.72 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.158 0.504 . . . . 0.0 110.274 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 1.057 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.51 -36.93 77.01 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.078 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -43.02 99.55 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.2 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.43 -18.88 62.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.026 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 11.5 tttm 99.48 19.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.932 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 1.057 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -77.68 126.06 84.92 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.079 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.42 149.03 24.46 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.855 2.37 . . . . 0.0 112.623 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -30.24 70.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -69.97 -17.79 63.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.387 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -116.39 -35.39 4.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 584' ' ' LEU . 3.7 ptp180 -57.14 -36.85 71.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -49.8 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.468 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.45 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.088 0.471 . . . . 0.0 110.412 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 601' ' ' ILE . 29.4 mt -61.22 -47.74 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.109 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.5 t90 -57.01 -42.11 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -59.76 -43.69 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.24 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.52 -41.7 98.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.012 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.758 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.6 mm -64.03 -47.94 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 13.2 mt -58.42 -44.52 89.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 573' ' ' ILE . 35.4 m . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.962 0.41 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.5 p -105.24 153.19 21.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 562' ' ' LEU . 14.6 mm -63.65 -27.75 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.96 -49.78 80.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.5 m -78.23 -36.07 47.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.194 0.521 . . . . 0.0 109.889 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.31 -45.72 93.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.43 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 562' ' ' LEU . 25.1 mt -74.05 -41.08 62.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.53 67.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.42 -28.68 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.743 HD11 ' CE2' ' A' ' 552' ' ' PHE . 30.2 mt -93.3 -18.08 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.56 43.47 6.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.614 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.451 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.8 m -146.92 45.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 86.8 p -61.57 -29.79 70.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 83.4 p -59.81 -23.88 63.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.4 m -71.22 -19.93 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.523 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.36 -38.32 63.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 111.476 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 567' ' ' THR . 1.8 m-20 -52.52 -35.56 53.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 36.2 m-85 -71.76 -34.11 69.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 587' ' ' LEU . 49.1 m-85 -75.3 -48.86 21.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.0 p -60.82 -42.22 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 563' ' ' ASP . 8.9 p -58.17 -19.51 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.702 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.88 -13.49 15.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.702 0.287 . . . . 0.0 111.477 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.81 28.03 6.1 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.645 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.829 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -119.75 115.83 24.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 71.6 p -121.65 -22.85 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.813 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -107.52 147.54 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.2 tt -65.37 -40.12 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -54.26 -38.17 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.732 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -23.19 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.004 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.75 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.0 pt -120.78 15.27 6.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.508 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.99 -27.25 5.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.4 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -120.49 29.9 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.829 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.83 142.78 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 112.353 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.5 p -100.42 167.59 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.049 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.44 ' HE2' ' CG ' ' A' ' 594' ' ' ARG . 7.6 ttm -60.33 -29.46 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -52.05 40.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.316 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.6 -48.19 81.78 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.3 -36.31 73.13 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.253 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.12 -31.77 61.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.059 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.4 t -63.43 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.209 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.729 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -66.37 -15.4 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.117 179.03 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 39.7 tttt 99.04 18.48 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.138 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -82.22 122.98 79.76 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.33 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.81 161.63 4.44 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.87 2.38 . . . . 0.0 112.831 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 45.9 mt-10 -66.93 -39.81 87.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.45 -15.49 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.552 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -113.34 -40.06 3.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.433 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.1 ptp180 -56.74 -35.65 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.147 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -65.89 -50.02 65.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.86 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.163 0.506 . . . . 0.0 110.589 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.409 ' O ' HG12 ' A' ' 601' ' ' ILE . 40.8 mt -59.56 -46.84 92.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.324 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.603 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.3 t90 -55.44 -44.22 76.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.413 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -42.65 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.183 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.98 98.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.136 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.7 mm -66.05 -40.72 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.603 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.2 mt -67.23 -41.73 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 46.1 t . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.135 0.493 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -105.23 159.93 15.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.199 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.776 HG22 HD12 ' A' ' 562' ' ' LEU . 15.4 mm -65.02 -28.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.65 -49.78 80.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 48.1 t -78.14 -35.96 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.169 0.509 . . . . 0.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.529 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.1 t80 -61.69 -46.52 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.503 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 558' ' ' CYS . 16.1 mt -74.14 -40.93 62.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.22 68.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.61 -29.09 69.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 552' ' ' PHE . 16.4 mt -95.23 -18.1 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.98 45.39 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.664 ' O ' HD13 ' A' ' 553' ' ' LEU . 92.8 m -146.02 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 22.3 p -62.03 -28.07 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.3 t -60.42 -23.38 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -73.95 -19.9 60.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.468 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -51.27 -38.36 52.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.446 -179.606 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.6 -36.15 55.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.7 m-85 -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.439 ' CD2' HG21 ' A' ' 549' ' ' ILE . 45.5 m-85 -75.37 -48.82 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 16.8 p -60.3 -41.7 93.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 563' ' ' ASP . 13.9 p -56.03 -20.52 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.674 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.524 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -107.71 -13.64 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.593 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.7 27.98 5.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.455 -0.878 . . . . 0.0 113.278 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.815 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -118.01 111.94 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.549 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.33 -28.64 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.7 p -102.53 149.08 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.245 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.495 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.3 tt -63.41 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.347 0.594 . . . . 0.0 109.668 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 38.7 m-85 -55.79 -35.58 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.989 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -22.22 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.804 ' CG2' HD22 ' A' ' 570' ' ' LEU . 32.2 pt -123.6 15.42 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.505 ' HA ' HG23 ' A' ' 601' ' ' ILE . 29.2 tt0 -50.75 -26.57 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.721 0.296 . . . . 0.0 111.367 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.68 27.37 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.214 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.815 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.05 142.92 45.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.315 0.579 . . . . 0.0 112.522 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.1 p -100.61 168.81 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.899 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.49 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.22 -51.96 46.93 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.456 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.84 -47.41 82.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.077 0.465 . . . . 0.0 110.262 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.38 -35.06 73.22 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.245 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.09 -33.34 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.858 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -41.51 97.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.195 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.796 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.27 -19.2 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.943 178.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 6.8 tmtt? 98.81 20.7 0.01 OUTLIER 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.972 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.992 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.94 125.74 81.32 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.183 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.94 147.75 61.23 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.685 2.257 . . . . 0.0 112.829 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 21.0 mt-10 -56.64 -27.26 58.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -16.1 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.628 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -112.37 -47.05 3.12 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -54.91 -29.27 55.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.586 0.231 . . . . 0.0 111.297 -179.545 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -50.25 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.722 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.94 71.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 601' ' ' ILE . 47.4 mt -59.94 -45.13 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 20.0 t90 -57.06 -46.13 82.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.252 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -56.95 -42.29 79.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.15 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.87 99.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.045 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.752 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.4 mm -66.0 -41.78 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.22 -49.05 78.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.7 t0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.976 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.47 ' HB3' HG21 ' A' ' 573' ' ' ILE . 92.0 m . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.109 0.48 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 77.9 p -105.3 155.89 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.836 HG22 HD12 ' A' ' 562' ' ' LEU . 20.9 mm -63.14 -29.39 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.52 -49.84 78.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.174 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 30.4 t -78.2 -33.2 50.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.3 t80 -64.56 -45.43 87.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.474 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 562' ' ' LEU . 19.4 mt -74.01 -41.67 61.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.669 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.18 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 552' ' ' PHE . 5.4 mt -99.61 -18.13 17.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.96 50.61 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.564 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 553' ' ' LEU . 65.1 m -149.31 41.44 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 12.0 m -61.4 -29.17 69.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 25.1 p -61.22 -25.15 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.3 m -73.77 -19.85 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.426 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.75 -37.15 49.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.629 -179.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 567' ' ' THR . 3.4 m-20 -52.41 -36.61 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.81 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 36.3 m-85 -70.67 -34.24 71.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 587' ' ' LEU . 45.6 m-85 -75.42 -48.63 21.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.15 -37.91 84.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.2 p -56.47 -21.49 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.399 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.424 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.18 -13.71 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.637 0.256 . . . . 0.0 111.539 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.92 29.01 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.397 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.895 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -93.66 111.93 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.128 0.464 . . . . 0.0 110.712 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.9 m -115.06 -23.21 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -108.63 150.82 26.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.16 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.216 0.531 . . . . 0.0 109.622 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -55.04 -39.02 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.732 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -57.92 -23.57 53.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.895 HG22 HD22 ' A' ' 570' ' ' LEU . 29.8 pt -121.8 15.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.617 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.487 ' HA ' HG23 ' A' ' 601' ' ' ILE . 9.5 tt0 -50.31 -25.54 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.407 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 29.69 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.288 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.722 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.52 139.9 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.518 0.675 . . . . 0.0 112.683 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 38.6 p -100.67 174.12 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.021 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -27.56 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.58 -50.35 45.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.624 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.9 -48.64 80.88 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 110.17 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -58.11 -37.04 73.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.14 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.44 60.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.119 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 26.6 t -61.18 -43.18 99.29 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.272 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 1.0 OUTLIER -64.73 -15.5 61.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.101 178.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 4.5 ttmm 92.04 25.2 0.02 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.788 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -77.21 129.37 78.21 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.311 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.89 153.94 10.87 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.756 2.304 . . . . 0.0 112.816 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -67.7 -30.0 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.12 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -71.14 -17.02 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -113.9 -35.24 5.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.33 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.9 ptp180 -54.91 -40.5 69.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.92 -48.39 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.382 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -54.77 -42.98 72.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.75 -43.79 94.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.09 -41.3 98.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 576' ' ' ILE . 41.2 mm -65.07 -38.84 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.397 . . . . 0.0 110.888 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.88 -44.28 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 -179.885 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.896 ' O ' HG22 ' A' ' 573' ' ' ILE . 34.9 m . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.136 0.493 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -102.06 156.38 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.273 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 562' ' ' LEU . 4.2 mm -65.33 -28.8 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.95 -49.77 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 68.3 p -77.98 -37.41 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.276 0.56 . . . . 0.0 109.854 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.792 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.6 t80 -60.14 -46.01 91.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.409 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 562' ' ' LEU . 24.5 mt -74.06 -38.76 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.48 69.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -68.58 -28.05 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.792 HD11 ' CE2' ' A' ' 552' ' ' PHE . 6.4 mt -95.8 -18.17 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.73 7.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.602 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.532 ' O ' HD13 ' A' ' 553' ' ' LEU . 61.0 m -143.24 42.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -28.11 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.1 t -60.1 -22.35 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 74.4 m -75.3 -19.64 59.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.507 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.96 -38.86 53.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.409 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 567' ' ' THR . 56.6 m-20 -52.46 -37.07 56.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.5 m-85 -70.9 -33.37 70.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CD2' ' CD1' ' A' ' 587' ' ' LEU . 49.2 m-85 -75.32 -48.81 21.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.1 p -61.66 -38.02 86.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.732 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.3 p -56.24 -21.72 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.408 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.87 -13.65 15.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 111.409 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.32 14.88 15.19 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.816 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.6 OUTLIER -102.11 111.85 24.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.687 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 3.2 p -112.07 -33.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.7 p -99.02 150.55 21.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.896 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.5 tt -72.47 -29.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 109.926 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.51 -35.92 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.34 -24.48 63.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 570' ' ' LEU . 30.9 pt -117.67 15.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.522 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.6 ' HA ' HG23 ' A' ' 601' ' ' ILE . 6.5 tt0 -51.18 -25.69 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.253 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -119.07 30.26 7.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.816 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.69 142.83 42.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.426 0.631 . . . . 0.0 112.565 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.1 p -100.55 170.5 8.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.819 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.497 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 6.3 ttm -62.93 -28.1 69.83 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -51.61 38.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -59.46 -48.02 83.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.174 0.511 . . . . 0.0 110.186 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.81 -35.86 73.54 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.16 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.13 -32.27 61.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 8.4 t -61.08 -43.14 99.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.226 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -62.03 -19.64 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.954 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 ttmm 100.37 20.15 0.0 OUTLIER 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.9 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.98 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -79.88 125.07 82.83 Favored Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.914 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 164.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.729 2.286 . . . . 0.0 113.028 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.5 OUTLIER -67.12 -29.14 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.8 -22.98 55.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.15 -42.66 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.497 ' HD2' ' HE2' ' A' ' 581' ' ' MET . 8.2 ptp180 -56.78 -37.56 71.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 -50.22 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.08 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.115 0.483 . . . . 0.0 110.541 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.453 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 72.5 mt -59.01 -46.79 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.288 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.3 t90 -55.19 -43.84 74.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -58.3 -44.4 88.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.033 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.74 95.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.972 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.7 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.1 mm -67.0 -41.49 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.422 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.9 mt -58.74 -48.99 79.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.514 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.028 0.442 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.1 p -105.16 153.02 22.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.287 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.716 HG22 HD12 ' A' ' 562' ' ' LEU . 21.8 mm -64.28 -28.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.715 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.26 -49.81 79.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.4 m -78.16 -36.18 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.325 0.584 . . . . 0.0 109.911 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.5 t80 -61.5 -46.59 89.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.502 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 562' ' ' LEU . 23.7 mt -74.08 -39.58 63.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.93 -37.81 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -28.61 68.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.786 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.5 mt -94.88 -18.14 21.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.61 47.24 5.19 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 60.2 m -146.07 44.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -31.16 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -62.98 -26.0 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -70.9 -19.87 62.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.17 -38.74 53.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 111.478 -179.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.44 -39.22 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 27.9 m-85 -66.52 -34.55 78.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.747 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.0 m-85 -75.44 -48.23 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 p -58.94 -37.92 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -24.83 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.329 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HG3' HD22 ' A' ' 587' ' ' LEU . 7.1 mm100 -101.17 -13.98 17.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.477 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.11 3.92 38.71 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.03 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.935 HD22 HG22 ' A' ' 576' ' ' ILE . 0.3 OUTLIER -86.72 111.9 21.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.953 0.377 . . . . 0.0 110.508 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 68.4 p -112.79 -27.73 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 5.1 p -107.15 150.62 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.277 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.0 tt -61.82 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.366 0.603 . . . . 0.0 109.502 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.35 -36.88 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.831 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -21.72 42.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.935 HG22 HD22 ' A' ' 570' ' ' LEU . 21.9 pt -123.57 15.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.462 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -50.59 -29.73 11.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.407 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -115.23 24.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.796 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.4 142.14 48.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 112.256 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 34.0 p -100.51 169.29 9.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.035 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.402 ' CE ' ' CD2' ' A' ' 595' ' ' HIS . 2.5 mtp -60.99 -29.89 69.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -53.35 31.12 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.254 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 46.1 m-20 -56.87 -50.21 73.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.032 0.444 . . . . 0.0 109.997 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.93 -35.85 67.08 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.17 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -32.16 61.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 10.4 p -65.04 -34.42 78.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -69.05 -13.68 62.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.166 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 tmtt? 98.05 17.08 0.01 OUTLIER 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.89 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.974 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -83.04 120.52 76.17 Favored Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.391 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.99 160.81 9.54 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.84 2.36 . . . . 0.0 112.83 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -65.54 -30.69 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -17.14 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -113.67 -34.21 5.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 111.257 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 5.9 ptp180 -61.04 -33.28 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.99 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . 0.402 ' CD2' ' CE ' ' A' ' 581' ' ' MET . 0.3 OUTLIER -63.95 -50.11 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.0 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.619 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 45.0 mt -59.73 -47.41 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.526 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.562 ' CH2' HD11 ' A' ' 602' ' ' LEU . 11.4 t90 -57.86 -39.65 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.458 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -47.06 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.393 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.82 98.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.236 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 552' ' ' PHE . 28.4 mm -66.26 -36.19 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.562 HD11 ' CH2' ' A' ' 598' ' ' TRP . 19.9 mt -65.73 -45.34 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.528 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.1 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.085 0.469 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 68.5 p -105.29 152.49 22.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.034 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 553' ' ' LEU . 20.0 mm -63.95 -26.84 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.441 ' HA ' HD13 ' A' ' 562' ' ' LEU . 81.1 t -65.29 -49.82 76.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 37.3 t -78.18 -36.81 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.295 0.569 . . . . 0.0 109.806 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.849 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.1 t80 -60.02 -48.4 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 549' ' ' ILE . 36.6 mt -73.97 -38.64 64.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.27 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.849 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.6 mt -96.08 -18.25 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.46 47.65 5.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.436 ' O ' HD13 ' A' ' 553' ' ' LEU . 14.0 m -146.53 41.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -28.68 69.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -25.34 67.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 64.3 m -71.59 -19.89 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.42 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -52.33 -37.72 56.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.481 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 49.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 110.716 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 25.2 m-85 -71.65 -33.7 69.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.589 ' CD1' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.36 -48.75 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 p -61.44 -41.33 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 6.6 p -57.98 -18.94 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.332 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.756 ' HB3' HD12 ' A' ' 570' ' ' LEU . 5.0 tp-100 -106.91 -13.66 15.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.683 0.278 . . . . 0.0 111.456 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 21.5 9.65 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.934 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -110.27 112.64 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.654 0.264 . . . . 0.0 110.387 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.08 -27.9 6.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.869 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 15.8 p -102.18 150.3 23.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 111.493 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.7 tt -64.22 -36.0 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.353 178.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -59.38 -35.84 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.939 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -57.57 -22.2 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.775 ' O ' HG21 ' A' ' 601' ' ' ILE . 31.9 pt -123.56 15.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.538 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.536 ' HA ' HG23 ' A' ' 601' ' ' ILE . 10.5 tp10 -50.6 -31.25 15.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 111.342 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -116.72 27.38 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.08 143.31 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.39 0.614 . . . . 0.0 112.279 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.4 p -100.6 163.96 12.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.87 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.64 63.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -67.66 -52.65 35.45 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.381 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.89 -46.46 84.88 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.134 0.493 . . . . 0.0 110.207 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.971 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.92 -34.62 73.46 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.995 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.08 -32.54 61.5 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.839 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -40.63 96.98 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.209 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -63.79 -17.15 62.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.056 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 100.11 19.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.175 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.971 HD13 HD23 ' A' ' 584' ' ' LEU . 2.2 mp -83.71 119.84 74.28 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.082 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.2 166.35 4.43 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.85 2.367 . . . . 0.0 112.891 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.4 mp0 -64.63 -39.92 94.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -14.86 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.634 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.39 -50.22 2.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 3.8 ptm180 -54.93 -28.36 50.45 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -50.16 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.667 0.27 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.13 71.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.139 0.495 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.418 ' O ' HG12 ' A' ' 601' ' ' ILE . 50.3 mt -60.04 -44.75 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.384 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 602' ' ' LEU . 31.1 t90 -55.88 -46.4 78.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -58.97 -43.03 91.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.335 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.52 96.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.117 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.775 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.3 mm -65.49 -39.48 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.713 HD11 ' CE2' ' A' ' 598' ' ' TRP . 5.8 mt -61.54 -42.13 98.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 573' ' ' ILE . 71.2 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.197 0.523 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 74.7 p -105.0 154.6 19.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.147 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -63.51 -26.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.108 0.48 . . . . 0.0 109.874 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.434 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -67.26 -49.99 67.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.157 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 9.1 t -78.14 -32.5 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.97 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.561 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.7 t80 -64.77 -47.29 78.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.658 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -74.03 -39.39 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.591 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.37 74.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.78 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 553' ' ' LEU . 2.8 mt -92.2 -18.07 23.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 89.6 22.82 35.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.747 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.66 50.61 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -28.34 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 9.1 m -58.04 -22.08 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.43 -19.79 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.481 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.98 -36.43 38.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.622 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 567' ' ' THR . 1.0 OUTLIER -52.47 -40.19 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.93 -33.27 75.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.4 m-85 -75.44 -48.28 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 p -58.88 -38.98 80.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 563' ' ' ASP . 28.9 p -55.82 -23.79 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.384 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -103.23 -13.82 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 111.244 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.43 3.82 40.73 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.846 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -83.82 111.9 19.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.2 m -112.05 -28.38 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -109.46 152.91 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.561 HD12 ' CG ' ' A' ' 552' ' ' PHE . 6.7 tt -70.11 -34.98 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -53.59 -40.26 65.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.69 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.671 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.827 ' CG2' HD22 ' A' ' 570' ' ' LEU . 22.2 pt -116.08 15.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.31 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.38 -32.47 11.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.651 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -116.27 29.79 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.96 143.52 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.368 0.604 . . . . 0.0 112.376 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.7 p -100.37 166.54 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.182 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . 0.422 ' HE3' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -59.4 -29.8 67.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.82 -52.4 44.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.237 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 41.5 m-20 -58.68 -52.33 66.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -54.48 -35.36 63.0 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.657 0.742 . . . . 0.0 110.306 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.96 61.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.863 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.7 t -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.109 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.46 -16.57 63.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.917 178.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 2.9 ttmm 100.11 16.37 0.01 OUTLIER 'General case' 0 C--N 1.339 0.133 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.87 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.932 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -81.62 124.18 80.09 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.21 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.65 164.61 2.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.004 2.469 . . . . 0.0 113.175 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -70.14 -32.78 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.57 -20.19 61.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -107.17 -39.3 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 111.403 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.2 ptp180 -54.88 -33.95 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.199 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.97 68.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.749 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.16 73.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.596 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.533 HD12 HG21 ' A' ' 589' ' ' ILE . 72.6 mt -59.83 -46.13 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.518 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.475 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.5 t90 -58.34 -44.91 88.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.31 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.079 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.39 96.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.04 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.741 HG21 ' O ' ' A' ' 576' ' ' ILE . 17.6 mt -60.3 -52.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 598' ' ' TRP . 15.5 mt -60.26 -41.04 92.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 51.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.169 0.509 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.1 p -105.22 160.14 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.097 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.81 HG22 HD12 ' A' ' 562' ' ' LEU . 13.6 mm -66.0 -28.85 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 109.766 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.06 -49.59 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.8 p -78.18 -36.57 47.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.561 . . . . 0.0 110.034 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 556' ' ' LEU . 4.8 t80 -61.21 -50.3 73.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.797 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 562' ' ' LEU . 21.5 mt -73.69 -41.06 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.58 -36.56 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -28.46 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 552' ' ' PHE . 9.8 mt -94.21 -18.06 22.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.246 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.66 46.91 5.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 553' ' ' LEU . 86.8 m -143.68 40.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 50.5 p -60.53 -30.34 69.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -26.59 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.3 m -73.21 -19.86 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.309 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.81 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -51.31 -37.24 46.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.537 -179.592 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -52.47 -38.56 59.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.1 m-85 -67.59 -34.45 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 553' ' ' LEU . 47.4 m-85 -75.52 -48.48 22.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.6 -34.83 74.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -22.54 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.569 ' HG3' HD22 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -106.45 -13.79 15.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 109.13 3.83 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.588 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.809 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -85.31 111.81 20.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.65 -28.44 6.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.5 p -102.8 150.08 23.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.9 tt -62.9 -39.22 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 109.783 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.29 -35.93 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -57.92 -21.82 45.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.809 HG22 HD22 ' A' ' 570' ' ' LEU . 31.3 pt -122.66 15.31 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.471 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.464 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.7 tt0 -52.06 -25.85 9.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.739 0.304 . . . . 0.0 111.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -117.19 25.66 10.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.219 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.785 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.72 140.8 48.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.454 0.645 . . . . 0.0 112.461 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 41.2 p -100.72 171.56 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.935 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -29.54 70.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -52.14 38.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.485 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.17 -48.56 79.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 110.239 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 1.051 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -59.29 -35.0 72.96 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.289 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.05 -33.33 61.71 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.992 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.101 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -61.47 -19.94 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 19.3 ttmt 98.1 23.13 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.911 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 1.051 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -80.83 125.99 78.84 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.37 145.54 78.04 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.636 2.224 . . . . 0.0 112.843 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 3.8 mt-10 -55.24 -23.39 22.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.36 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.16 -15.85 58.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.654 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.91 -46.54 3.11 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.0 -29.31 57.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.575 0.226 . . . . 0.0 111.281 -179.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -50.24 60.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.45 75.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 0.0 110.24 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 601' ' ' ILE . 25.6 mt -59.69 -45.81 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.098 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.772 ' CE2' HD11 ' A' ' 602' ' ' LEU . 26.2 t90 -55.86 -45.61 78.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.07 83.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.182 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.86 -38.96 96.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.218 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.703 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.0 mm -68.17 -37.96 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 598' ' ' TRP . 3.3 mt -66.44 -48.86 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.028 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.522 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.045 0.45 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 64.8 p -105.31 154.82 19.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.314 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -64.5 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.672 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.405 ' HA ' HD13 ' A' ' 562' ' ' LEU . 60.9 t -65.08 -49.64 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -36.11 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.304 0.573 . . . . 0.0 109.785 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.2 t80 -62.06 -45.51 93.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.425 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 562' ' ' LEU . 18.5 mt -71.73 -40.98 69.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.12 70.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.7 -29.17 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 552' ' ' PHE . 3.5 mt -98.43 -18.12 18.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.71 48.93 4.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.567 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 553' ' ' LEU . 34.0 m -148.44 45.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 4.7 m -60.55 -29.58 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 8.2 m -62.83 -26.78 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -69.77 -19.82 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.415 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.08 -37.58 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.598 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.46 -37.32 56.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 31.1 m-85 -68.79 -34.62 75.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.728 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.5 m-85 -75.68 -48.45 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.85 -36.12 78.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -22.15 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.648 ' HG3' HD22 ' A' ' 587' ' ' LEU . 3.2 mm100 -106.46 -13.9 15.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.336 . . . . 0.0 111.369 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.64 3.77 32.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.868 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -84.8 111.87 20.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.523 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 69.1 p -115.35 -27.17 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.14 146.81 28.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.522 HG21 ' CB ' ' A' ' 547' ' ' CYS . 8.1 tt -60.84 -36.93 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 109.726 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.96 -33.9 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.24 44.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.802 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.7 pt -123.98 15.19 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.589 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.452 ' HA ' HG23 ' A' ' 601' ' ' ILE . 22.7 tt0 -50.66 -26.57 5.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 111.467 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -118.81 29.45 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.82 140.96 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.376 0.608 . . . . 0.0 112.473 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.5 p -100.37 171.77 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.062 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -29.04 70.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -51.21 42.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -59.58 -47.39 85.76 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 110.142 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 1.018 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.11 -35.93 74.28 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.132 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.37 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.945 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 34.5 t -61.74 -42.0 98.39 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.823 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.9 -18.67 63.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.906 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.1 tttm 97.73 21.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.812 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 1.018 HD13 HD23 ' A' ' 584' ' ' LEU . 1.5 mp -78.93 125.79 83.33 Favored Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.317 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.54 159.69 6.13 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.792 2.328 . . . . 0.0 113.009 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.0 tt0 -67.62 -28.78 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -18.43 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.471 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.18 -34.94 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 111.327 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.9 ptp180 -54.88 -38.98 68.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.334 . . . . 0.0 111.085 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -50.07 66.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -59.5 -52.02 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.099 0.476 . . . . 0.0 110.597 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.728 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 63.7 mt -59.78 -49.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.263 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 20.9 t90 -55.8 -41.35 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.368 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -59.71 -43.19 94.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.28 -42.19 99.71 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.12 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.0 mm -63.27 -42.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 15.8 mt -67.97 -44.26 77.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 573' ' ' ILE . 8.9 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.15 0.5 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.5 p -105.38 154.34 20.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.112 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.771 HG22 HD12 ' A' ' 562' ' ' LEU . 21.2 mm -63.67 -28.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' VAL . . . . . 0.409 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -63.77 -49.81 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.1 m -78.12 -36.59 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.3 t80 -60.69 -46.76 89.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.429 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -73.98 -39.35 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.47 -37.16 67.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -30.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.709 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 552' ' ' PHE . 8.1 mt -92.08 -18.15 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.82 41.83 7.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.0 m -141.2 45.89 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 34.2 t -59.86 -30.17 68.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.7 t -62.78 -27.81 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 3.3 m -67.2 -19.9 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.366 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -54.21 -36.48 63.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.655 0.264 . . . . 0.0 111.374 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 567' ' ' THR . 4.3 m-20 -52.47 -36.51 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 35.5 m-85 -70.55 -33.98 71.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.817 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 587' ' ' LEU . 52.0 m-85 -75.27 -48.57 22.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.4 p -60.01 -42.82 95.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 563' ' ' ASP . 27.5 p -58.1 -20.02 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -105.0 -13.6 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.64 0.257 . . . . 0.0 111.408 -179.78 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.22 28.13 6.6 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.851 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.851 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -117.8 113.44 21.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.1 p -118.54 -24.91 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.854 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.88 148.33 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.416 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.8 tt -64.33 -38.39 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 109.658 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -55.63 -37.14 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.779 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.19 45.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' ILE . . . . . 0.756 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.2 pt -123.98 15.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.649 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' GLU . . . . . 0.48 ' HA ' HG23 ' A' ' 601' ' ' ILE . 40.9 tp10 -50.16 -30.41 11.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -119.76 29.92 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' TYR . . . . . 0.851 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.4 144.45 46.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 112.409 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.56 165.79 11.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.999 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -30.03 68.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.95 -52.95 36.65 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 40.0 m-20 -57.49 -50.27 73.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.062 0.458 . . . . 0.0 110.187 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -56.19 -35.91 67.8 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.111 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.01 61.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.005 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -36.22 83.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.223 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.7 OUTLIER -68.7 -12.43 61.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.261 178.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 1.3 tptt 97.0 17.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.157 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' ILE . . . . . 0.983 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.75 124.89 79.18 Favored Pre-proline 0 CA--C 1.531 0.242 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.022 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.01 166.68 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.838 2.358 . . . . 0.0 113.128 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 11.2 tt0 -72.65 -27.47 62.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.193 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -77.85 -23.52 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.57 -41.45 6.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' ARG . . . . . 0.5 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.7 ptp180 -55.56 -32.39 62.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -50.08 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.43 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.204 0.526 . . . . 0.0 110.474 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' ILE . . . . . 0.46 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 65.7 mt -59.77 -48.26 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 18.2 t90 -55.94 -42.13 75.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -44.88 92.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.56 97.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.14 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' ILE . . . . . 0.756 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.2 mm -66.81 -46.55 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 10.9 mt -58.92 -42.96 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.622 -0.191 . . . . 0.0 112.622 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 46.2 m 60.43 80.66 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 60.96 156.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.29 142.21 45.04 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.87 175.8 9.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -78.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.481 ' HB3' HG21 ' A' ' 573' ' ' ILE . 63.1 m -97.15 122.49 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 67.5 p -105.28 155.53 18.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.271 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.684 HG22 HD12 ' A' ' 562' ' ' LEU . 20.1 mm -64.11 -27.86 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 79.2 t -64.58 -49.66 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.4 m -77.87 -36.21 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.345 0.593 . . . . 0.0 109.801 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.8 t80 -61.36 -45.98 92.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.412 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.625 HD12 HD12 ' A' ' 562' ' ' LEU . 30.6 mt -74.06 -38.5 63.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.56 -39.65 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.781 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -65.03 -29.34 70.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.728 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.9 mt -93.55 -18.24 22.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.98 45.94 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 82.1 m -151.17 45.07 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.5 m -61.18 -27.22 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.9 m -62.78 -25.97 68.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.215 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.62 -19.76 66.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.411 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.97 -37.91 47.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 111.534 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 567' ' ' THR . 6.0 m-20 -52.47 -37.07 56.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 588' ' ' LYS . 37.8 m-85 -70.48 -33.72 71.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.582 ' CD1' HG21 ' A' ' 549' ' ' ILE . 44.5 m-85 -75.38 -48.83 21.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.5 p -60.98 -39.52 89.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 563' ' ' ASP . 4.5 p -55.72 -20.82 15.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.551 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 570' ' ' LEU . 2.7 tp-100 -109.35 -13.7 14.57 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.412 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 107.9 28.21 4.83 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.506 -0.854 . . . . 0.0 113.622 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.857 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.0 OUTLIER -118.48 114.92 23.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.022 0.411 . . . . 0.0 110.767 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 4.6 p -118.52 -22.05 7.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.559 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.6 p -108.94 147.86 31.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.726 0.298 . . . . 0.0 111.321 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' HB3' ' A' ' 547' ' ' CYS . 8.0 tt -62.4 -38.68 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.329 0.585 . . . . 0.0 109.83 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -56.69 -36.67 69.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.837 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -22.12 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.049 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.771 ' CG2' HD22 ' A' ' 570' ' ' LEU . 28.6 pt -123.98 15.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.426 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.459 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.8 tt0 -49.86 -28.75 6.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.506 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -118.62 29.04 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.185 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.857 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.25 143.75 42.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.464 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 48.0 p -100.37 165.64 11.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.017 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.505 ' HE2' ' CG ' ' A' ' 594' ' ' ARG . 6.3 ttm -59.49 -28.71 67.27 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.36 -52.19 36.0 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.431 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 38.3 m-20 -58.32 -46.89 85.32 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.033 0.444 . . . . 0.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.959 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.01 -36.54 75.1 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.161 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.038 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 t -62.41 -40.26 95.93 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.761 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -63.84 -17.59 63.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.287 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 5.6 ttmt 101.16 17.28 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.925 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.959 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.82 124.21 83.46 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.087 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.84 161.6 4.52 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.797 2.331 . . . . 0.0 113.028 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.466 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.3 tp10 -67.83 -31.6 71.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -71.75 -20.83 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -107.39 -40.02 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.682 0.277 . . . . 0.0 111.286 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.505 ' CG ' ' HE2' ' A' ' 581' ' ' MET . 8.6 ptp180 -55.37 -36.53 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.17 -50.15 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.94 -51.77 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.369 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.533 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 68.3 mt -59.1 -47.8 88.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.349 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -56.54 -41.0 76.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -59.76 -44.35 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.123 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.96 -41.4 99.37 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.147 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.66 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.0 mm -64.49 -43.33 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.22 -44.49 95.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.65 -31.69 68.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -75.44 -30.46 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -73.81 -31.31 63.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -33.05 74.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.12 -36.01 76.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -82.01 -31.27 31.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -139.69 107.55 5.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -83.89 168.94 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.92 140.58 46.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 9.2 t -159.37 137.05 7.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.63 125.87 9.19 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.552 2.168 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 615' ' ' HIS . 12.8 m 59.2 82.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 614' ' ' SER . 5.9 m-70 -157.29 -64.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 4.0 mt -116.93 141.77 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.85 -179.46 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -157.29 163.07 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 32.1 p -104.61 89.78 2.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.84 158.4 58.02 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.535 2.157 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 4.9 m -127.58 78.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.935 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.3 m -158.63 131.28 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . 0.506 ' N ' ' HD2' ' A' ' 544' ' ' PRO . 13.5 m-85 -72.75 -49.03 8.33 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.3 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 543' ' ' TYR . 73.1 Cg_endo -75.91 113.99 3.83 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.224 1.949 . . . . 0.0 112.379 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.79 179.79 7.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.748 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.94 135.51 53.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.509 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m -82.21 138.57 34.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.075 0.464 . . . . 0.0 110.753 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.1 p -105.26 152.19 23.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.264 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -63.79 -26.92 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.56 -49.69 79.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -36.07 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.235 0.54 . . . . 0.0 109.777 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.651 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.0 OUTLIER -61.85 -45.45 93.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.363 179.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 562' ' ' LEU . 26.2 mt -74.11 -39.31 63.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.562 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.99 71.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -65.19 -28.73 69.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.651 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.7 mt -97.52 -18.15 19.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.17 48.42 4.85 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.521 ' O ' HD13 ' A' ' 553' ' ' LEU . 97.3 m -148.41 44.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -27.69 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -23.31 66.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.185 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.6 m -72.11 -19.87 61.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.729 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.43 -37.6 57.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.51 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 567' ' ' THR . 0.7 OUTLIER -52.41 -36.62 54.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.007 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.1 m-85 -70.82 -33.94 71.21 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.511 ' CD2' HG21 ' A' ' 549' ' ' ILE . 46.3 m-85 -75.39 -48.77 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.977 0.418 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 10.5 p -60.7 -41.01 94.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 563' ' ' ASP . 3.0 p -57.89 -19.64 31.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.327 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.723 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.22 -13.6 15.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.669 0.271 . . . . 0.0 111.461 -179.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.29 28.03 6.26 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.772 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 576' ' ' ILE . 1.2 mp -119.19 114.07 21.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 16.0 p -117.05 -28.32 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.72 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 13.9 p -99.62 151.65 20.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 111.385 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.509 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -66.59 -37.29 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.343 0.592 . . . . 0.0 109.493 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -21.98 42.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.6 pt -123.57 15.27 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.419 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 601' ' ' ILE . 1.0 OUTLIER -50.36 -27.77 6.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.31 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -119.25 29.21 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.735 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.19 141.55 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.459 0.647 . . . . 0.0 112.501 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.9 p -100.51 170.04 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.948 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -28.32 69.45 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -50.73 48.46 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.392 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.76 -49.96 75.38 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.64 -34.51 69.41 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.936 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.29 -33.13 61.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -37.32 83.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.98 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -70.85 -8.88 55.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.041 178.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 587' ' ' LEU . 0.2 OUTLIER 85.31 24.87 0.08 Allowed 'General case' 0 C--N 1.338 0.09 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.21 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.949 HD13 HD23 ' A' ' 584' ' ' LEU . 1.4 mp -81.11 129.84 65.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.176 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.25 153.9 15.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.899 2.399 . . . . 0.0 113.173 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -67.19 -28.16 67.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -74.43 -24.91 59.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.44 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -104.76 -36.11 7.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.295 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.1 ptp180 -54.72 -37.69 66.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.991 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -50.01 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.665 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.39 -52.07 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.43 ' O ' HG12 ' A' ' 601' ' ' ILE . 66.9 mt -60.18 -48.19 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.256 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.623 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 23.2 t90 -55.78 -41.78 74.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -59.23 -45.65 90.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.214 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.68 95.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.067 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 30.3 mm -65.99 -38.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.623 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 20.6 mt -66.62 -42.04 87.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -58.21 -38.21 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.068 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . 0.557 ' HA ' HD12 ' A' ' 607' ' ' LEU . 38.2 t60 -64.39 -33.75 76.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -62.52 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -77.5 -29.37 52.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 604' ' ' HIS . 27.5 mt -58.77 -33.56 70.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -88.29 -31.45 18.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -115.04 75.71 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -115.08 -38.6 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 3.4 m -168.72 35.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 37.0 m -137.25 92.4 13.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.19 174.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.389 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 33.5 t 60.92 168.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 -169.08 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.607 HD23 ' CD2' ' A' ' 617' ' ' LEU . 6.5 tp -101.86 -34.8 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.607 ' CD2' HD23 ' A' ' 616' ' ' LEU . 0.4 OUTLIER -149.63 108.81 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -76.53 99.06 4.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 75.4 p -138.8 103.53 7.57 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.92 136.63 38.91 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.37 2.047 . . . . 0.0 112.253 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.8 t 61.72 30.86 18.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.119 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.9 m -99.95 73.73 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . 0.426 ' N ' ' HD2' ' A' ' 544' ' ' PRO . 1.7 m-85 -70.54 -61.12 2.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . 0.448 ' O ' HG23 ' A' ' 545' ' ' THR . 40.7 Cg_endo -67.49 139.2 48.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.425 2.084 . . . . 0.0 112.347 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 544' ' ' PRO . 0.9 OUTLIER -158.99 161.39 36.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.07 -175.92 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.836 ' O ' HG22 ' A' ' 573' ' ' ILE . 1.8 t -65.62 111.55 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 55.1 p -104.82 158.23 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.349 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.557 HG22 HD12 ' A' ' 562' ' ' LEU . 5.3 mm -65.59 -28.97 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.22 -49.71 79.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -35.21 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.239 0.542 . . . . 0.0 110.008 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.762 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.8 t80 -62.4 -45.64 92.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.504 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 562' ' ' LEU . 17.9 mt -74.06 -41.6 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.674 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.14 -37.23 69.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -64.22 -29.82 70.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 552' ' ' PHE . 4.3 mt -97.95 -18.09 18.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 87.34 47.24 4.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.641 ' O ' HD13 ' A' ' 553' ' ' LEU . 53.2 m -143.76 42.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 2.6 m -61.26 -29.27 69.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -25.38 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.1 m -70.65 -19.77 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.356 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.705 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.86 -37.03 40.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.505 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -52.54 -36.5 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.81 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.7 m-85 -70.6 -33.92 71.59 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.915 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.495 ' CD1' HG21 ' A' ' 549' ' ' ILE . 47.5 m-85 -75.29 -48.84 21.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.41 -37.51 83.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.79 -21.61 20.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.45 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.529 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -108.05 -13.53 14.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.63 0.253 . . . . 0.0 111.363 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.72 10.5 24.81 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.346 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -93.97 111.97 23.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.033 0.416 . . . . 0.0 110.691 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 50.9 p -110.04 -38.11 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.627 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.2 p -96.53 153.7 17.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.574 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.836 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.3 tt -78.49 -26.69 14.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -57.82 -39.72 78.29 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.922 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.51 -28.44 65.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.331 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.77 ' CG2' HD22 ' A' ' 570' ' ' LEU . 20.1 pt -111.42 15.05 8.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.213 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.71 -29.09 24.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -116.69 26.76 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -71.3 141.65 50.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.347 0.594 . . . . 0.0 112.28 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.0 p -100.55 166.91 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.049 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.425 ' HE1' ' HG3' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -58.65 -30.42 67.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -67.39 -52.09 44.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.403 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -58.45 -47.84 82.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.024 0.44 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.46 -35.1 71.64 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.702 0.763 . . . . 0.0 109.992 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . 0.571 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -75.21 -31.85 61.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.762 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.7 t -64.14 -36.77 85.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.098 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.76 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.89 -13.03 61.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.826 178.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 94.1 19.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.115 179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -80.65 123.99 82.22 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.791 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 149.91 39.98 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.768 2.312 . . . . 0.0 113.047 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.5 tt0 -56.92 -32.32 65.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.046 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -71.09 -15.63 62.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.415 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -112.61 -48.54 3.0 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.571 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.68 -26.21 43.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.57 0.224 . . . . 0.0 111.353 -179.304 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -50.25 63.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.571 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.32 75.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.199 0.523 . . . . 0.0 110.312 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 589' ' ' ILE . 51.5 mt -60.68 -43.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.213 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.45 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.7 t90 -58.71 -45.71 88.93 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.046 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -55.8 -43.5 76.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.24 97.98 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.746 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.562 HG21 ' O ' ' A' ' 576' ' ' ILE . 19.4 mt -61.7 -41.36 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.336 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.04 -42.99 95.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -55.05 -34.7 63.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . 0.508 ' HA ' HD12 ' A' ' 607' ' ' LEU . 10.9 t60 -77.96 -35.02 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -59.42 -40.13 85.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -79.2 -30.53 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 604' ' ' HIS . 6.4 mt -59.49 -41.07 88.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -39.25 42.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 60.13 106.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -91.92 174.05 7.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.5 m -124.5 31.04 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 40.7 t -132.99 81.38 57.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.427 ' HB2' HD11 ' A' ' 616' ' ' LEU . 54.8 Cg_endo -69.98 142.31 46.65 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 73.1 p -118.62 158.09 26.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.18 75.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 613' ' ' PRO . 13.5 mt -128.8 138.95 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.5 mt -151.53 -46.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -89.01 123.76 33.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . 0.4 ' N ' ' CD ' ' A' ' 620' ' ' PRO . 4.9 m 61.0 54.36 3.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 619' ' ' THR . 55.9 Cg_endo -70.31 151.97 66.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.503 2.135 . . . . 0.0 112.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 16.0 t -73.35 -35.21 65.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 4.9 m -109.37 137.09 47.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.56 151.76 57.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.32 144.48 62.26 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.541 2.16 . . . . 0.0 112.117 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 546' ' ' ASP . 0.1 OUTLIER -128.75 -84.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . 0.442 ' H ' HG23 ' A' ' 545' ' ' THR . 1.9 m-20 -146.23 164.76 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.495 ' CB ' HG21 ' A' ' 573' ' ' ILE . 4.1 m -85.79 133.98 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 55.1 p -105.29 153.55 21.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.34 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.832 HG22 HD12 ' A' ' 562' ' ' LEU . 20.7 mm -64.36 -28.89 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.2 -49.79 81.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 43.1 p -78.23 -35.46 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.247 0.546 . . . . 0.0 110.178 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.72 ' CE1' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -61.6 -49.67 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.592 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 562' ' ' LEU . 17.3 mt -73.15 -41.04 64.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.94 -35.58 66.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -28.44 64.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 552' ' ' PHE . 70.1 mt -92.62 -18.16 23.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.77 44.08 5.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.567 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.502 ' O ' HD13 ' A' ' 553' ' ' LEU . 99.3 m -147.05 43.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 56.0 p -61.26 -28.52 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 87.4 p -62.05 -25.83 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -71.07 -19.99 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.293 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.832 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -53.02 -36.32 60.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.488 -179.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.58 -35.68 54.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 28.9 m-85 -70.48 -35.02 73.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.934 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' A' ' 587' ' ' LEU . 53.3 m-85 -75.31 -48.62 22.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 36.3 p -59.33 -44.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 563' ' ' ASP . 30.9 p -57.7 -19.86 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.485 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.782 ' HB3' HD12 ' A' ' 570' ' ' LEU . 9.1 tp-100 -103.66 -13.59 16.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.663 0.268 . . . . 0.0 111.522 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.42 3.98 37.78 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.984 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.807 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -94.37 115.98 28.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.4 p -119.86 -24.09 6.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.9 p -107.15 149.39 27.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.349 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.2 tt -64.42 -39.06 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.41 ' CE1' ' OD1' ' A' ' 546' ' ' ASP . 26.2 m-85 -56.93 -36.18 69.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.755 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -57.83 -21.86 44.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.3 pt -121.62 15.54 5.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.556 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.22 -26.02 16.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 111.202 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -117.79 25.07 10.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.807 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.8 142.53 44.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.418 0.627 . . . . 0.0 112.472 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 27.5 p -100.55 165.81 11.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.845 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.429 ' HE3' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -58.33 -29.85 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -67.86 -51.15 51.54 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.298 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -59.09 -44.78 91.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.037 0.446 . . . . 0.0 110.328 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 1.003 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.0 -35.7 77.54 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.647 0.736 . . . . 0.0 109.782 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.37 61.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.837 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.12 98.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.068 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.788 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -61.86 -19.79 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.883 178.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.578 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 15.2 tttm 100.39 20.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.917 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 1.003 HD13 HD23 ' A' ' 584' ' ' LEU . 1.6 mp -78.94 127.12 80.82 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.325 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 589' ' ' ILE . 53.9 Cg_exo -53.32 160.95 4.23 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.84 2.36 . . . . 0.0 112.949 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.488 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.2 OUTLIER -72.2 -25.61 61.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.83 -16.63 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -113.57 -34.14 5.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.2 ptp180 -54.88 -38.37 67.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.218 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -50.07 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.44 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.403 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 41.0 mt -60.11 -49.46 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.3 t90 -55.01 -41.84 71.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.366 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.81 -44.96 93.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.343 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.24 -40.3 97.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.178 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.744 HG21 ' O ' ' A' ' 576' ' ' ILE . 38.3 mm -65.14 -46.55 90.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 598' ' ' TRP . 13.5 mt -64.05 -35.55 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.84 -31.63 72.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -61.95 -33.18 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -29.87 58.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 -26.58 62.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.037 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.2 mt -57.51 -31.98 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -84.86 -31.81 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -142.24 90.47 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -105.62 169.77 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 21.9 t -95.06 -28.61 15.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 11.8 t 60.71 87.84 0.13 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.78 109.39 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.568 2.178 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.16 120.64 34.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.68 -55.01 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.89 116.73 16.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.86 -54.7 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 44.43 36.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.524 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . 0.417 ' N ' ' CD ' ' A' ' 620' ' ' PRO . 0.3 OUTLIER -87.26 -51.69 0.42 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 619' ' ' THR . 27.8 Cg_exo -61.91 -52.54 2.81 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.473 2.115 . . . . 0.0 112.135 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 2.0 m -116.46 179.32 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.37 103.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.88 160.84 37.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.38 132.02 33.52 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.565 2.177 . . . . 0.0 112.281 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.67 -33.48 47.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -106.6 152.87 23.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.051 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.521 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.8 m -97.11 137.07 36.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 78.8 p -105.41 154.02 20.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.72 HG22 HD12 ' A' ' 562' ' ' LEU . 9.8 mm -64.62 -27.16 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 109.711 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.33 -49.58 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -35.24 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.158 0.504 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 601' ' ' ILE . 1.1 t80 -62.04 -50.97 69.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.346 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 562' ' ' LEU . 38.4 mt -71.3 -38.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.93 -38.25 72.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -28.84 70.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.829 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.35 -18.23 21.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.97 30.85 24.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.695 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.9 p -133.65 41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -25.5 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 2.8 p -56.84 -22.56 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.298 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 597' ' ' ILE . 32.5 m -74.64 -19.61 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.549 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.72 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.78 -37.69 43.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.569 -179.391 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.56 -37.39 57.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.555 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 33.4 m-85 -70.68 -33.27 70.74 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.471 ' CE1' HD12 ' A' ' 587' ' ' LEU . 45.4 m-85 -75.15 -48.75 22.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 6.4 p -60.57 -40.98 93.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.819 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.2 p -56.45 -20.98 22.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.374 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.708 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.94 -13.62 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.46 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.58 6.36 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.822 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.848 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -114.6 112.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 110.522 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 7.8 m -118.64 -27.59 5.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.839 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 4.9 p -101.59 146.89 27.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.311 . . . . 0.0 111.425 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.521 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.5 tt -62.21 -36.97 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.314 0.578 . . . . 0.0 109.667 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -58.09 -35.58 71.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.914 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -22.09 42.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.789 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.4 pt -124.01 15.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.613 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.471 ' HA ' HG23 ' A' ' 601' ' ' ILE . 26.8 tt0 -50.26 -31.13 13.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.677 0.275 . . . . 0.0 111.357 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -118.49 27.76 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.177 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.848 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.01 144.54 48.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.349 0.595 . . . . 0.0 112.302 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.65 162.34 12.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.912 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.543 ' HE1' ' HA ' ' A' ' 595' ' ' HIS . 0.0 OUTLIER -55.88 -31.1 62.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -66.92 -53.19 34.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.552 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 45.3 m-20 -56.62 -47.57 79.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 121.042 0.449 . . . . 0.0 110.315 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.945 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.93 -35.81 73.72 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . 0.527 ' HB2' ' NE ' ' A' ' 594' ' ' ARG . . . -74.96 -32.44 61.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.986 178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.1 t -63.3 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.312 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.718 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.21 -16.15 63.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.179 179.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.579 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 41.6 tttt 101.53 17.2 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.25 0.62 . . . . 0.0 112.084 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.945 HD13 HD23 ' A' ' 584' ' ' LEU . 2.4 mp -84.01 122.88 76.09 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 120.071 -0.651 . . . . 0.0 110.043 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 163.73 10.67 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.678 2.252 . . . . 0.0 112.73 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 36.9 tt0 -64.07 -35.72 81.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -67.2 -14.83 63.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.419 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -113.71 -50.22 2.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.527 ' NE ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.78 -31.71 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.514 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . 0.543 ' HA ' ' HE1' ' A' ' 581' ' ' MET . 1.6 t-160 -65.62 -50.13 66.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.0 110.779 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.0 -49.55 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.114 0.483 . . . . 0.0 110.567 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.419 ' O ' HG12 ' A' ' 601' ' ' ILE . 53.9 mt -59.14 -43.13 88.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.326 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.612 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.1 t90 -58.1 -44.84 87.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.269 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -43.04 86.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.146 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.2 -41.9 98.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.959 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 576' ' ' ILE . 31.2 mm -65.57 -44.79 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.612 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 8.0 mt -60.47 -45.88 92.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -56.3 -36.13 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.046 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . 0.679 ' HA ' HD21 ' A' ' 607' ' ' LEU . 27.7 t60 -56.27 -32.35 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -81.11 -28.02 35.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.45 -52.1 11.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.157 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.679 HD21 ' HA ' ' A' ' 604' ' ' HIS . 1.7 pp -57.21 -22.04 38.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.361 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -73.92 -42.04 61.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 55.03 73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.002 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.14 106.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.39 37.84 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 54.5 p -75.31 141.4 73.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.8 -62.11 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.456 2.104 . . . . 0.0 112.269 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 59.1 p -168.81 -169.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -101.63 99.82 10.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 17.0 tp -135.27 32.75 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 3.9 mp -142.78 85.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.09 96.61 3.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 45.2 p -134.33 84.34 41.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -45.72 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.594 2.196 . . . . 0.0 112.286 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.62 35.93 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.864 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 6.3 t -85.99 162.25 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -111.96 155.29 43.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 545' ' ' THR . 25.1 Cg_endo -61.62 123.77 13.33 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.621 2.214 . . . . 0.0 112.178 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' A' ' 544' ' ' PRO . 1.0 OUTLIER 84.07 -19.05 0.39 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.509 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 58.2 164.7 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.861 0.363 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.481 ' CB ' HG21 ' A' ' 573' ' ' ILE . 11.8 m -94.58 129.95 41.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 59.6 p -105.08 154.46 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.194 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.75 HG21 ' CD1' ' A' ' 565' ' ' PHE . 17.9 mm -64.69 -27.54 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.44 ' HA ' HD13 ' A' ' 562' ' ' LEU . 67.6 t -65.0 -49.75 78.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 99.6 p -77.2 -37.54 53.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.351 0.596 . . . . 0.0 109.643 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.12 -45.96 91.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.399 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 549' ' ' ILE . 27.7 mt -72.83 -39.14 66.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -54.9 -38.69 67.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.708 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -30.41 71.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.642 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.9 mt -91.4 -18.14 24.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.46 41.45 6.91 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 66.6 m -151.15 48.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 65.3 m -60.54 -28.96 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 62.6 p -59.6 -27.03 65.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.105 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' ' 597' ' ' ILE . 12.3 m -61.0 -19.9 61.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.357 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -53.47 -38.52 63.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.513 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.639 ' O ' HG23 ' A' ' 567' ' ' THR . 63.0 m-20 -52.35 -35.94 52.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 32.6 m-85 -71.32 -34.23 70.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.75 ' CD1' HG21 ' A' ' 549' ' ' ILE . 46.7 m-85 -75.17 -48.7 22.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.1 p -60.69 -41.41 95.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 563' ' ' ASP . 16.5 p -57.18 -20.29 25.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.692 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.9 tp-100 -106.53 -13.68 15.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 0.0 111.511 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 104.83 27.96 5.8 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.684 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.824 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -120.14 119.59 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.81 -24.0 4.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.855 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.4 p -106.6 149.16 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.303 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.481 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.1 tt -65.74 -40.2 87.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.166 0.507 . . . . 0.0 109.876 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -54.93 -38.48 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.97 -21.89 46.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.764 ' CG2' HD22 ' A' ' 570' ' ' LEU . 23.2 pt -122.82 15.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.505 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.537 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.4 tt0 -52.31 -26.61 12.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.712 0.291 . . . . 0.0 111.219 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . 0.431 ' CD2' ' HD2' ' A' ' 605' ' ' ARG . 0.2 OUTLIER -117.76 26.28 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.824 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.75 143.66 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.431 0.634 . . . . 0.0 112.33 -179.61 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.6 p -100.5 165.95 11.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.98 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 2.1 mtp -59.16 -29.47 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -67.26 -52.5 40.02 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.287 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -57.68 -50.45 73.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.124 0.488 . . . . 0.0 110.12 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.63 -36.32 66.87 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.151 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.29 61.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.963 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.1 m -65.83 -32.78 74.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.195 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.751 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -72.23 -9.75 58.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.006 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 95.99 14.9 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.162 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.958 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.62 119.89 76.59 Favored Pre-proline 0 CA--C 1.53 0.208 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.316 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.6 166.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.853 2.369 . . . . 0.0 112.772 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.456 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 2.1 tt0 -66.29 -44.45 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.175 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -60.09 -19.62 54.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.417 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -106.78 -43.34 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.661 0.267 . . . . 0.0 111.405 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.0 ptp180 -56.56 -33.84 66.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.234 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -50.04 72.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.865 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.72 65.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.08 0.467 . . . . 0.0 110.732 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.574 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 67.2 mt -58.85 -43.37 88.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.564 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.427 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 16.8 t90 -59.67 -45.51 91.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -42.49 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.477 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.24 94.72 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.207 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.69 HG21 ' O ' ' A' ' 576' ' ' ILE . 34.1 mm -63.97 -33.09 59.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.427 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.0 mt -67.23 -45.42 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.99 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -39.43 78.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.94 -29.68 70.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.431 ' HD2' ' CD2' ' A' ' 578' ' ' HIS . 6.6 ttp180 -66.16 -29.36 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -30.99 65.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 607' ' ' LEU . 19.7 mt -64.5 -31.17 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -100.26 -25.08 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.36 129.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -99.15 156.98 16.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.58 -0.66 56.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.436 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.2 m 62.84 81.15 0.23 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.75 78.77 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.578 2.185 . . . . 0.0 112.354 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.89 -31.63 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.13 134.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.94 38.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 617' ' ' LEU . 8.9 tt -161.0 102.12 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -164.33 91.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 11.2 p -144.87 56.78 3.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.27 136.79 32.5 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.498 2.132 . . . . 0.0 112.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 3.2 t -149.33 148.61 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.938 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.8 p -116.96 104.19 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 61.5 154.42 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.02 135.58 30.18 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.587 2.191 . . . . 0.0 112.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 4.5 m -107.53 -35.5 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.86 160.81 13.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.445 ' HB3' HG21 ' A' ' 573' ' ' ILE . 44.6 m -85.21 126.95 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 85.6 p -105.22 154.12 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.065 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.505 HG21 ' CD2' ' A' ' 565' ' ' PHE . 4.2 mm -65.27 -26.0 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.42 ' HA ' HD13 ' A' ' 562' ' ' LEU . 95.0 t -65.89 -49.64 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.91 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.0 m -77.78 -36.09 50.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.529 . . . . 0.0 109.806 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.925 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.332 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 562' ' ' LEU . 20.8 mt -72.84 -41.36 64.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.97 -37.59 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.94 -28.97 68.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.894 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.925 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.3 mt -95.12 -18.13 21.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.19 44.86 6.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.516 ' O ' HD13 ' A' ' 553' ' ' LEU . 23.3 m -147.46 41.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -27.06 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -23.81 61.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 56.7 m -73.2 -19.87 61.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.436 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.87 -37.48 43.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.657 0.265 . . . . 0.0 111.519 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 2.5 m-20 -52.56 -36.35 55.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.925 0.393 . . . . 0.0 110.641 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 27.6 m-85 -72.16 -33.16 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.864 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.25 -48.8 21.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.945 0.402 . . . . 0.0 110.743 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 14.4 p -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.815 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 5.5 p -58.1 -19.42 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.201 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.706 ' HB3' HD12 ' A' ' 570' ' ' LEU . 10.0 tp-100 -106.5 -13.64 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.11 6.18 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.644 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.827 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -118.6 116.88 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.783 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 6.6 m -122.52 -28.43 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.626 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.3 p -101.09 145.58 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.487 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.9 tt -63.59 -39.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.225 0.536 . . . . 0.0 109.921 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -55.61 -37.49 68.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.819 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.71 -23.32 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.759 ' O ' HG21 ' A' ' 601' ' ' ILE . 43.1 pt -120.9 15.3 6.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.451 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.514 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.6 tt0 -51.86 -26.45 10.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.756 0.312 . . . . 0.0 111.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . 0.448 ' CD2' ' HB3' ' A' ' 577' ' ' GLU . 5.5 m-70 -119.38 27.55 8.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.062 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.827 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.89 142.89 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.382 0.61 . . . . 0.0 112.32 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.8 p -100.48 167.98 10.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.993 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -29.87 69.04 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.04 -51.94 41.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.258 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -58.54 -47.85 82.84 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.062 0.458 . . . . 0.0 110.212 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.93 -34.11 72.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.245 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.15 -33.81 61.55 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.924 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 1.2 m -61.66 -41.41 97.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.193 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.73 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.66 -18.83 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.166 179.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 22.8 tttp 101.22 19.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.273 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.991 HD13 HD23 ' A' ' 584' ' ' LEU . 2.6 mp -85.65 116.16 64.48 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.065 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.27 152.12 55.37 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.984 2.456 . . . . 0.0 113.157 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 9.1 tt0 -50.65 -36.55 36.04 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.274 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.64 -15.05 60.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -119.51 -47.09 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.573 ' HB3' HG22 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -57.13 -31.54 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.565 0.221 . . . . 0.0 111.35 -179.245 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 0.8 OUTLIER -65.25 -50.11 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.592 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.46 70.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.055 0.455 . . . . 0.0 110.431 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 601' ' ' ILE . 70.3 mt -58.69 -45.17 91.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.282 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.425 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 21.5 t90 -57.27 -42.48 81.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -59.29 -44.15 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.217 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.41 -41.11 98.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.096 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.759 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.7 mm -66.3 -39.23 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.791 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 16.6 mt -63.77 -44.98 91.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -58.2 -37.55 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -67.25 -35.12 78.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -71.51 -31.54 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -64.24 -33.62 76.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -33.78 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -31.32 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.44 93.44 4.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -63.0 167.14 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.2 m -107.42 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.51 108.12 1.21 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.99 -19.5 26.32 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.469 2.113 . . . . 0.0 112.545 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.33 -67.73 0.25 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 111.279 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -135.71 177.19 8.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 150.45 24.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.735 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 60.7 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.58 18.84 15.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 19.5 p 48.3 79.67 0.33 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.211 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.94 -51.65 10.69 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.613 2.209 . . . . 0.0 112.27 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.52 144.27 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.8 m -107.4 133.89 51.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -72.07 154.14 92.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.1 150.12 71.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.549 2.166 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.44 122.66 29.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 60.38 179.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.504 ' HB3' HG21 ' A' ' 573' ' ' ILE . 80.7 m -64.57 116.22 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.7 p -105.4 157.94 16.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.457 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.725 HG22 HD12 ' A' ' 562' ' ' LEU . 12.2 mm -65.65 -27.52 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.15 -49.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.585 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 29.5 t -77.17 -38.11 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.148 0.499 . . . . 0.0 109.922 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.689 ' CE2' HD11 ' A' ' 556' ' ' LEU . 0.7 OUTLIER -59.87 -45.83 91.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.418 179.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 562' ' ' LEU . 24.4 mt -74.05 -37.92 64.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.646 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.82 71.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 555' ' ' ARG . 26.4 ttm105 -67.23 -27.12 66.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.865 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.689 HD11 ' CE2' ' A' ' 552' ' ' PHE . 4.2 mt -99.19 -18.08 17.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 83.45 46.89 5.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.524 ' O ' HD13 ' A' ' 553' ' ' LEU . 94.5 m -144.68 43.38 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 10.7 m -62.25 -28.39 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.0 t -60.23 -22.37 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 57.9 m -75.73 -19.98 58.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.429 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -51.83 -38.1 54.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.58 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.628 ' O ' HG23 ' A' ' 567' ' ' THR . 0.8 OUTLIER -52.3 -36.67 53.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.98 -179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.415 ' CB ' HG13 ' A' ' 589' ' ' ILE . 56.9 m-85 -71.0 -33.88 70.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.431 ' CD1' ' CD1' ' A' ' 587' ' ' LEU . 54.8 m-85 -75.34 -48.52 22.72 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.5 p -60.45 -40.67 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 563' ' ' ASP . 12.6 p -57.56 -21.33 37.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.713 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.13 -13.56 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.372 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.93 28.0 6.39 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.611 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.792 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.3 mp -115.53 111.97 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.342 . . . . 0.0 110.732 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 -24.28 6.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.654 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.6 p -102.67 144.18 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.297 . . . . 0.0 111.281 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 552' ' ' PHE . 6.7 tt -65.85 -38.31 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.153 0.502 . . . . 0.0 110.072 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.51 -36.08 68.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.552 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -26.46 62.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.706 ' O ' HG21 ' A' ' 601' ' ' ILE . 26.0 pt -116.31 15.19 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -51.73 -26.59 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.71 0.291 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . 0.415 ' CD2' ' HD2' ' A' ' 605' ' ' ARG . 2.1 m-70 -121.16 27.09 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.792 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -70.26 139.96 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.446 0.641 . . . . 0.0 112.283 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 33.6 p -100.6 170.07 8.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.156 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.552 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 2.0 ttm -62.09 -27.72 69.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.54 -49.51 53.73 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.429 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.44 -49.37 75.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.24 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.8 -35.9 71.48 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.643 0.735 . . . . 0.0 109.853 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.31 60.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.976 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.07 95.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.8 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.2 -15.2 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.1 OUTLIER 87.96 26.75 0.03 OUTLIER 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.813 179.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 1.085 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -75.35 127.73 85.7 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.233 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.86 151.47 20.02 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.803 2.335 . . . . 0.0 112.656 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 594' ' ' ARG . 76.2 mt-10 -67.21 -29.72 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -64.03 -34.79 78.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.279 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -105.55 -24.45 12.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.552 ' HD2' ' HE2' ' A' ' 581' ' ' MET . 27.1 ttm180 -54.91 -53.99 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.51 95.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.85 -52.42 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 111.035 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.447 HG23 ' CZ ' ' A' ' 552' ' ' PHE . 39.1 mt -62.03 -46.43 96.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.313 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 23.7 t90 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.149 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -59.95 -43.25 95.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.933 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.5 -40.74 98.15 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.882 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.706 HG21 ' O ' ' A' ' 576' ' ' ILE . 39.1 mm -66.53 -37.43 79.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.396 . . . . 0.0 110.75 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.56 -49.15 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.45 -35.03 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -75.92 -30.91 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.415 ' HD2' ' CD2' ' A' ' 578' ' ' HIS . 12.5 ttp85 -76.77 -39.09 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -59.96 -33.7 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.88 -31.48 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -31.22 60.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -62.69 86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 60.29 99.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 32.19 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.8 t -158.38 93.52 2.0 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.77 146.2 71.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.383 2.055 . . . . 0.0 112.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 78.4 p -94.52 74.96 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -177.73 65.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.38 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -37.87 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -176.68 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 26.5 p -98.47 106.48 36.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.94 -27.36 36.81 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.435 2.09 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.66 117.76 34.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.85 -51.96 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -123.51 154.22 66.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.8 113.97 3.17 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.581 2.187 . . . . 0.0 112.331 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.6 m -61.32 -58.62 7.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.762 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . 0.402 ' OD1' ' CE2' ' A' ' 574' ' ' TYR . 38.7 m-20 60.61 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.482 ' HB3' HG21 ' A' ' 573' ' ' ILE . 43.4 t -97.04 132.74 42.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.7 p -105.4 156.76 17.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.709 HG22 HD12 ' A' ' 562' ' ' LEU . 14.0 mm -65.07 -27.93 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.54 -49.93 78.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 2.6 t -77.53 -37.39 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.352 0.596 . . . . 0.0 109.699 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -60.38 -46.12 91.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.379 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 562' ' ' LEU . 23.9 mt -71.29 -42.91 68.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.1 -34.61 63.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.679 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -71.45 -30.53 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.767 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 552' ' ' PHE . 55.8 mt -92.05 -18.04 24.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.47 44.74 5.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.7 m -151.18 47.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 45.2 t -60.87 -28.85 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 3.1 m -62.85 -26.78 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 5.4 m -64.7 -19.78 65.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.377 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.6 -37.5 63.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.635 0.255 . . . . 0.0 111.336 -179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 567' ' ' THR . 2.8 m-20 -52.45 -35.47 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.752 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 29.5 m-85 -71.96 -34.36 68.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.834 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.6 m-85 -75.22 -48.75 21.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 18.3 p -60.87 -41.66 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.71 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 563' ' ' ASP . 9.2 p -57.96 -20.06 35.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.305 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.639 ' HB3' HD12 ' A' ' 570' ' ' LEU . 7.5 tp-100 -105.5 -13.62 15.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 28.06 6.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.61 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.843 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.7 mp -120.7 119.25 32.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 110.707 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 74.0 p -120.53 -29.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.682 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.8 p -101.65 154.7 18.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 547' ' ' CYS . 4.8 tt -69.83 -39.5 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.402 ' CE2' ' OD1' ' A' ' 546' ' ' ASP . 25.4 m-85 -54.06 -38.61 65.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.999 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -22.33 45.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.05 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.764 ' O ' HG21 ' A' ' 601' ' ' ILE . 48.4 pt -120.62 15.46 6.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.59 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.551 ' HA ' HG23 ' A' ' 601' ' ' ILE . 3.3 tt0 -51.28 -27.6 9.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.72 0.295 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -119.48 28.81 7.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.843 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -75.27 143.04 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.325 0.583 . . . . 0.0 112.372 -179.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 30.2 p -100.38 166.62 10.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.03 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.73 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.73 -51.89 43.93 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.285 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.53 -49.97 75.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.142 0.496 . . . . 0.0 110.09 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.963 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -57.01 -35.22 68.98 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.384 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . 0.504 ' HB2' ' NH1' ' A' ' 594' ' ' ARG . . . -75.07 -32.89 61.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.962 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -36.81 85.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.383 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.713 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -67.31 -15.08 63.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.253 179.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.4 tttt 101.08 16.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.241 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.963 HD13 HD23 ' A' ' 584' ' ' LEU . 2.9 mp -83.88 116.36 64.36 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.076 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.63 160.2 9.84 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.029 2.486 . . . . 0.0 113.308 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.644 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.7 OUTLIER -61.9 -24.51 66.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.203 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.53 -17.47 59.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.786 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -116.32 -42.34 3.04 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 7.8 ptp180 -54.82 -29.56 55.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.677 0.275 . . . . 0.0 111.171 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -50.13 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.51 79.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.162 0.506 . . . . 0.0 110.261 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.668 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 70.4 mt -60.2 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.294 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.402 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 18.9 t90 -56.16 -42.36 76.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.477 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -59.18 -44.83 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.357 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.18 98.57 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.189 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.764 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.8 mm -64.9 -35.84 76.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.48 -44.97 77.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -59.33 -41.63 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -63.14 -31.57 72.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -32.72 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -67.34 -32.99 74.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 33.4 mt -68.7 -32.89 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.78 -32.44 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.91 -24.94 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 64.02 93.05 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 7.9 t -138.06 99.87 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.02 95.36 49.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.03 -58.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.474 2.116 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 615' ' ' HIS . 78.7 p -168.74 139.97 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 614' ' ' SER . 82.0 m-70 -157.33 145.7 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 617' ' ' LEU . 6.6 mp -118.93 30.8 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 616' ' ' LEU . 8.9 mp -133.34 -69.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 60.76 179.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 30.6 p -98.86 111.02 59.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.36 160.55 48.59 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.47 2.113 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 58.4 m -157.31 -49.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.933 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.6 m -124.63 126.14 45.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -78.78 162.93 63.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.63 135.51 56.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.561 2.174 . . . . 0.0 112.318 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.2 -36.86 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.75 162.97 4.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 36.2 t -86.47 124.09 32.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.14 0.495 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 52.5 p -105.2 159.73 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.196 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.744 HG22 HD12 ' A' ' 562' ' ' LEU . 13.4 mm -65.18 -27.8 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.19 -49.74 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 19.0 m -78.12 -36.83 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.298 0.571 . . . . 0.0 109.935 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 556' ' ' LEU . 2.2 t80 -60.92 -47.7 85.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.547 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.683 HD12 HD12 ' A' ' 562' ' ' LEU . 29.2 mt -74.15 -38.98 63.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -27.81 65.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.749 HD11 ' CE1' ' A' ' 552' ' ' PHE . 7.3 mt -94.94 -18.16 21.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.249 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.18 47.76 4.84 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.582 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 553' ' ' LEU . 11.6 m -148.4 43.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -28.9 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -25.51 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.405 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 8.0 m -69.2 -20.04 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.395 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -52.82 -38.42 61.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.448 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.41 -36.12 53.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 37.6 m-85 -71.09 -34.15 70.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 549' ' ' ILE . 49.0 m-85 -75.23 -48.61 22.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.7 p -60.49 -41.15 93.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.9 p -57.23 -20.7 28.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.673 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.2 OUTLIER -106.15 -13.47 15.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.355 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.0 27.98 5.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.597 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.797 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -118.23 115.88 25.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.758 0.314 . . . . 0.0 110.666 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.49 -29.75 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.635 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -101.24 150.91 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.288 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 552' ' ' PHE . 5.7 tt -66.22 -40.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 109.774 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.418 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 21.4 m-85 -54.37 -35.73 63.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.794 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -25.79 61.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.758 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.9 pt -117.2 15.35 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.498 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -50.53 -26.79 5.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.674 0.273 . . . . 0.0 111.386 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -119.71 27.73 8.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.797 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.92 142.44 44.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 112.494 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.8 p -100.69 168.46 9.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.89 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.417 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -61.71 -29.28 69.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.5 -52.79 34.94 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.545 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.29 -45.86 83.72 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.158 0.504 . . . . 0.0 110.274 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 1.057 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.51 -36.93 77.01 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.078 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -43.02 99.55 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.2 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.79 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.43 -18.88 62.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.026 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 11.5 tttm 99.48 19.74 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.932 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 1.057 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -77.68 126.06 84.92 Favored Pre-proline 0 CA--C 1.53 0.209 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.079 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.42 149.03 24.46 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.855 2.37 . . . . 0.0 112.623 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.86 -30.24 70.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -69.97 -17.79 63.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.387 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -116.39 -35.39 4.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 584' ' ' LEU . 3.7 ptp180 -57.14 -36.85 71.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.22 -49.8 58.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.468 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.11 -50.45 73.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.088 0.471 . . . . 0.0 110.412 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 601' ' ' ILE . 29.4 mt -61.22 -47.74 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.109 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.5 t90 -57.01 -42.11 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.419 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -59.76 -43.69 94.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.24 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.52 -41.7 98.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.012 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.758 HG21 ' O ' ' A' ' 576' ' ' ILE . 36.6 mm -64.03 -47.94 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 13.2 mt -58.42 -44.52 89.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.5 -30.89 61.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -72.77 -38.6 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -59.69 -37.71 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -69.35 -30.76 68.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.18 -31.02 27.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -73.96 -38.27 64.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -103.46 89.71 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.83 174.55 6.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 90.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.53 146.67 41.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.82 110.53 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.543 2.162 . . . . 0.0 112.246 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 143.15 16.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . 0.529 ' O ' HD22 ' A' ' 617' ' ' LEU . 0.2 OUTLIER 179.25 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.031 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 71.3 mt -47.83 140.18 6.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 615' ' ' HIS . 4.6 mm? -103.32 33.91 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.07 -71.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 1.9 t -134.21 127.24 18.9 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.33 -35.5 75.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.348 2.032 . . . . 0.0 112.253 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.5 m -128.12 135.59 50.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 4.6 p -73.27 80.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -114.12 156.04 44.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.95 133.23 24.72 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.557 2.172 . . . . 0.0 112.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.48 -46.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -162.11 157.02 22.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 573' ' ' ILE . 35.4 m -76.57 126.11 30.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 60.5 p -105.24 153.19 21.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 562' ' ' LEU . 14.6 mm -63.65 -27.75 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.96 -49.78 80.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 23.5 m -78.23 -36.07 47.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.194 0.521 . . . . 0.0 109.889 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.743 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.4 t80 -61.31 -45.72 93.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.43 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 562' ' ' LEU . 25.1 mt -74.05 -41.08 62.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.644 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.53 67.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -69.42 -28.68 66.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.736 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.743 HD11 ' CE2' ' A' ' 552' ' ' PHE . 30.2 mt -93.3 -18.08 22.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.56 43.47 6.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.614 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.451 ' O ' HD13 ' A' ' 553' ' ' LEU . 71.8 m -146.92 45.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 86.8 p -61.57 -29.79 70.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 83.4 p -59.81 -23.88 63.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 12.4 m -71.22 -19.93 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.523 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.785 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -53.36 -38.32 63.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 111.476 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 567' ' ' THR . 1.8 m-20 -52.52 -35.56 53.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 36.2 m-85 -71.76 -34.11 69.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 587' ' ' LEU . 49.1 m-85 -75.3 -48.86 21.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 19.0 p -60.82 -42.22 97.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 563' ' ' ASP . 8.9 p -58.17 -19.51 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.702 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -105.88 -13.49 15.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.702 0.287 . . . . 0.0 111.477 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.81 28.03 6.1 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.645 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.829 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -119.75 115.83 24.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.581 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 71.6 p -121.65 -22.85 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.813 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -107.52 147.54 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.2 tt -65.37 -40.12 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 109.876 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -54.26 -38.17 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.732 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -23.19 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.004 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.75 ' O ' HG21 ' A' ' 601' ' ' ILE . 33.0 pt -120.78 15.27 6.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.508 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.99 -27.25 5.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.4 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -120.49 29.9 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.829 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -74.83 142.78 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 112.353 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.5 p -100.42 167.59 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.049 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.44 ' HE2' ' CG ' ' A' ' 594' ' ' ARG . 7.6 ttm -60.33 -29.46 68.89 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.9 -52.05 40.92 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.316 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -58.6 -48.19 81.78 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.032 0.444 . . . . 0.0 110.228 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.3 -36.31 73.13 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.253 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.12 -31.77 61.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.059 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.4 t -63.43 -38.66 92.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.209 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.729 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -66.37 -15.4 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.117 179.03 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 39.7 tttt 99.04 18.48 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.138 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -82.22 122.98 79.76 Favored Pre-proline 0 CA--C 1.531 0.244 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.33 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -53.81 161.63 4.44 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.87 2.38 . . . . 0.0 112.831 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 45.9 mt-10 -66.93 -39.81 87.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.45 -15.49 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.552 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -113.34 -40.06 3.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.433 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.1 ptp180 -56.74 -35.65 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.147 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -65.89 -50.02 65.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.46 -50.86 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.163 0.506 . . . . 0.0 110.589 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.409 ' O ' HG12 ' A' ' 601' ' ' ILE . 40.8 mt -59.56 -46.84 92.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.324 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.603 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 25.3 t90 -55.44 -44.22 76.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.413 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -42.65 90.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.183 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.51 -40.98 98.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.136 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.7 mm -66.05 -40.72 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.603 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.2 mt -67.23 -41.73 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -30.94 66.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -67.74 -40.14 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.969 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.47 -31.03 70.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.89 -29.47 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.02 -30.81 68.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -101.29 -39.38 7.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -117.56 101.2 8.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.74 148.17 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 49.9 p -155.16 124.46 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 55.4 p -117.48 90.15 34.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -50.72 108.56 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.554 2.169 . . . . 0.0 112.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 40.1 m -158.48 -44.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 35.8 m80 63.45 93.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.79 -45.27 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 617' ' ' LEU . 1.4 pp -105.77 39.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.67 138.57 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 62.4 p -121.65 92.17 48.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.58 179.17 3.24 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.558 2.172 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 142.51 27.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 86.5 p -104.09 -37.18 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.46 155.81 92.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.25 154.12 66.06 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.594 2.196 . . . . 0.0 112.37 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 546' ' ' ASP . 0.1 OUTLIER -119.96 -86.15 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 545' ' ' THR . 0.1 OUTLIER -123.98 -75.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.489 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 46.1 t -96.63 125.62 41.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.802 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -105.23 159.93 15.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.199 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.776 HG22 HD12 ' A' ' 562' ' ' LEU . 15.4 mm -65.02 -28.75 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.65 -49.78 80.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 48.1 t -78.14 -35.96 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.169 0.509 . . . . 0.0 109.942 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.529 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.1 t80 -61.69 -46.52 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.503 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 558' ' ' CYS . 16.1 mt -74.14 -40.93 62.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.29 -38.22 68.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -66.61 -29.09 69.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 552' ' ' PHE . 16.4 mt -95.23 -18.1 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 84.98 45.39 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.664 ' O ' HD13 ' A' ' 553' ' ' LEU . 92.8 m -146.02 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 22.3 p -62.03 -28.07 69.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.3 t -60.42 -23.38 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -73.95 -19.9 60.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.468 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -51.27 -38.36 52.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.446 -179.606 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.63 ' O ' HG23 ' A' ' 567' ' ' THR . 0.4 OUTLIER -52.6 -36.15 55.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.747 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.7 m-85 -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.439 ' CD2' HG21 ' A' ' 549' ' ' ILE . 45.5 m-85 -75.37 -48.82 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 16.8 p -60.3 -41.7 93.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 563' ' ' ASP . 13.9 p -56.03 -20.52 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.674 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.524 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -107.71 -13.64 14.98 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.593 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.7 27.98 5.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.455 -0.878 . . . . 0.0 113.278 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.815 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.9 OUTLIER -118.01 111.94 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.549 179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.33 -28.64 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.7 p -102.53 149.08 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.245 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.495 ' HA ' HD13 ' A' ' 549' ' ' ILE . 6.3 tt -63.41 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.347 0.594 . . . . 0.0 109.668 178.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 573' ' ' ILE . 38.7 m-85 -55.79 -35.58 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.989 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.64 -22.22 44.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.804 ' CG2' HD22 ' A' ' 570' ' ' LEU . 32.2 pt -123.6 15.42 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.505 ' HA ' HG23 ' A' ' 601' ' ' ILE . 29.2 tt0 -50.75 -26.57 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.721 0.296 . . . . 0.0 111.367 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.68 27.37 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.214 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.815 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.05 142.92 45.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.315 0.579 . . . . 0.0 112.522 -179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 29.1 p -100.61 168.81 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.899 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.49 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.22 -51.96 46.93 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.456 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.84 -47.41 82.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.077 0.465 . . . . 0.0 110.262 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.992 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.38 -35.06 73.22 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.245 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.09 -33.34 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.858 178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -41.51 97.94 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.195 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.796 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.27 -19.2 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.943 178.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 6.8 tmtt? 98.81 20.7 0.01 OUTLIER 'General case' 0 C--N 1.339 0.123 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.972 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.992 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -79.94 125.74 81.32 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.183 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.94 147.75 61.23 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.685 2.257 . . . . 0.0 112.829 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 21.0 mt-10 -56.64 -27.26 58.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.354 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -16.1 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.628 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -112.37 -47.05 3.12 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -54.91 -29.27 55.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.586 0.231 . . . . 0.0 111.297 -179.545 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -50.25 64.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.767 0.318 . . . . 0.0 110.722 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.94 71.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.146 0.498 . . . . 0.0 110.373 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 601' ' ' ILE . 47.4 mt -59.94 -45.13 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 594' ' ' ARG . 20.0 t90 -57.06 -46.13 82.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.252 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -56.95 -42.29 79.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.15 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.12 -41.87 99.6 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.045 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.752 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.4 mm -66.0 -41.78 90.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.22 -49.05 78.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.053 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -57.81 -38.62 75.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -68.62 -32.0 71.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -75.56 -31.74 60.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -60.87 -31.36 70.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 20.5 mt -67.71 -37.9 82.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -42.05 15.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -140.88 116.66 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -126.83 134.35 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 51.8 p -76.31 111.79 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 19.8 m -88.54 140.4 29.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.79 -44.03 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.504 2.136 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 10.1 m -132.33 160.62 35.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -125.08 55.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.17 -168.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.77 149.29 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.95 -67.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . 0.408 ' CB ' ' CD ' ' A' ' 620' ' ' PRO . 0.0 OUTLIER -78.15 -61.43 0.58 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 619' ' ' THR . 71.1 Cg_endo -74.75 142.63 28.94 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.519 2.146 . . . . 0.0 112.366 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 91.8 p -124.92 135.24 52.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.827 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.56 30.18 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . 0.485 ' HB2' ' HD3' ' A' ' 544' ' ' PRO . 5.4 m-85 -88.86 -51.84 0.37 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' A' ' 543' ' ' TYR . 46.2 Cg_exo -55.89 154.1 28.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.429 2.086 . . . . 0.0 112.211 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.2 p -151.2 118.08 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -158.51 164.38 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.637 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.47 ' HB3' HG21 ' A' ' 573' ' ' ILE . 92.0 m -62.72 114.31 3.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.48 . . . . 0.0 110.767 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 77.9 p -105.3 155.89 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.939 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.836 HG22 HD12 ' A' ' 562' ' ' LEU . 20.9 mm -63.14 -29.39 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.52 -49.84 78.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.174 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 30.4 t -78.2 -33.2 50.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.196 0.522 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' A' ' 556' ' ' LEU . 2.3 t80 -64.56 -45.43 87.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.474 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 562' ' ' LEU . 19.4 mt -74.01 -41.67 61.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.669 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.18 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 552' ' ' PHE . 5.4 mt -99.61 -18.13 17.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.96 50.61 3.85 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.564 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.482 ' O ' HD13 ' A' ' 553' ' ' LEU . 65.1 m -149.31 41.44 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 12.0 m -61.4 -29.17 69.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 25.1 p -61.22 -25.15 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.3 m -73.77 -19.85 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.426 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.75 -37.15 49.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.629 -179.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 567' ' ' THR . 3.4 m-20 -52.41 -36.61 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.81 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 36.3 m-85 -70.67 -34.24 71.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.957 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 587' ' ' LEU . 45.6 m-85 -75.42 -48.63 21.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.007 0.432 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.9 p -61.15 -37.91 84.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.774 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.2 p -56.47 -21.49 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.399 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.424 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.18 -13.71 15.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.637 0.256 . . . . 0.0 111.539 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 110.37 3.92 29.01 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.397 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.895 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -93.66 111.93 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.128 0.464 . . . . 0.0 110.712 179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.9 m -115.06 -23.21 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.314 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -108.63 150.82 26.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 547' ' ' CYS . 6.3 tt -63.16 -37.87 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.216 0.531 . . . . 0.0 109.622 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -55.04 -39.02 68.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.732 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -57.92 -23.57 53.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.895 HG22 HD22 ' A' ' 570' ' ' LEU . 29.8 pt -121.8 15.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.617 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.487 ' HA ' HG23 ' A' ' 601' ' ' ILE . 9.5 tt0 -50.31 -25.54 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.407 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.42 29.69 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.288 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.722 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.52 139.9 42.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.518 0.675 . . . . 0.0 112.683 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 38.6 p -100.67 174.12 6.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.021 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -27.56 68.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -69.58 -50.35 45.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.624 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.9 -48.64 80.88 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 110.17 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 1.053 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -58.11 -37.04 73.8 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.14 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.44 60.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.119 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 26.6 t -61.18 -43.18 99.29 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.272 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 1.0 OUTLIER -64.73 -15.5 61.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.101 178.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 4.5 ttmm 92.04 25.2 0.02 OUTLIER 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.788 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 1.053 HD13 HD23 ' A' ' 584' ' ' LEU . 1.3 mp -77.21 129.37 78.21 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.114 -0.635 . . . . 0.0 110.311 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.89 153.94 10.87 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.756 2.304 . . . . 0.0 112.816 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -67.7 -30.0 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.12 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -71.14 -17.02 62.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -113.9 -35.24 5.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.33 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 8.9 ptp180 -54.91 -40.5 69.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 111.18 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -50.06 67.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -60.76 -51.66 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.92 -48.39 86.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.382 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -54.77 -42.98 72.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -59.75 -43.79 94.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.315 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.09 -41.3 98.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 576' ' ' ILE . 41.2 mm -65.07 -38.84 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.935 0.397 . . . . 0.0 110.888 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.88 -44.28 90.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.6 -31.0 69.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . 0.485 ' HA ' HD12 ' A' ' 607' ' ' LEU . 26.7 t60 -64.97 -34.14 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -60.15 -28.82 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.34 -28.7 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 604' ' ' HIS . 6.1 mt -57.06 -28.52 62.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.0 -19.53 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 65.97 94.3 0.06 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -78.01 174.28 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 72.0 p -110.64 132.23 54.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.8 m -124.48 140.88 36.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.61 -174.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.475 2.117 . . . . 0.0 112.284 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 60.0 p -164.0 31.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -136.2 149.71 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 6.0 tp -117.81 100.33 7.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -51.39 13.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 60.36 108.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 24.5 p -106.51 150.39 39.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -61.58 0.48 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.568 2.179 . . . . 0.0 112.274 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.9 t -165.06 -44.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.865 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.04 104.76 5.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.315 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . 0.524 ' HB2' ' HD3' ' A' ' 544' ' ' PRO . 43.3 m-85 -84.01 -45.84 0.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . 0.524 ' HD3' ' HB2' ' A' ' 543' ' ' TYR . 25.0 Cg_exo -62.82 126.21 17.66 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.348 2.032 . . . . 0.0 112.158 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 2.5 m 76.07 -0.95 3.04 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.58 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 65.57 175.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 110.968 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.896 ' O ' HG22 ' A' ' 573' ' ' ILE . 34.9 m -75.17 111.83 10.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.744 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.6 p -102.06 156.38 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.273 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 562' ' ' LEU . 4.2 mm -65.33 -28.8 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 43.1 t -63.95 -49.77 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 68.3 p -77.98 -37.41 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.276 0.56 . . . . 0.0 109.854 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.792 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.6 t80 -60.14 -46.01 91.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.409 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 562' ' ' LEU . 24.5 mt -74.06 -38.76 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.614 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -56.1 -37.48 69.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -68.58 -28.05 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.78 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.792 HD11 ' CE2' ' A' ' 552' ' ' PHE . 6.4 mt -95.8 -18.17 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.23 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.73 7.45 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.602 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.532 ' O ' HD13 ' A' ' 553' ' ' LEU . 61.0 m -143.24 42.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -28.11 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.1 t -60.1 -22.35 62.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 74.4 m -75.3 -19.64 59.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.507 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.755 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -50.96 -38.86 53.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.409 -179.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 567' ' ' THR . 56.6 m-20 -52.46 -37.07 56.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 34.5 m-85 -70.9 -33.37 70.49 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CD2' ' CD1' ' A' ' 587' ' ' LEU . 49.2 m-85 -75.32 -48.81 21.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 3.1 p -61.66 -38.02 86.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.732 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 563' ' ' ASP . 1.3 p -56.24 -21.72 25.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.408 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.0 OUTLIER -106.87 -13.65 15.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.621 0.248 . . . . 0.0 111.409 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.32 14.88 15.19 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.143 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.816 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.6 OUTLIER -102.11 111.85 24.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.687 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 3.2 p -112.07 -33.69 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.7 p -99.02 150.55 21.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.896 HG22 ' O ' ' A' ' 547' ' ' CYS . 5.5 tt -72.47 -29.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 109.926 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.51 -35.92 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.311 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -59.34 -24.48 63.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.8 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 570' ' ' LEU . 30.9 pt -117.67 15.13 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.522 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.6 ' HA ' HG23 ' A' ' 601' ' ' ILE . 6.5 tt0 -51.18 -25.69 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.253 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -119.07 30.26 7.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.816 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.7 OUTLIER -75.69 142.83 42.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.426 0.631 . . . . 0.0 112.565 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.1 p -100.55 170.5 8.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.819 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.497 ' HE2' ' HD2' ' A' ' 594' ' ' ARG . 6.3 ttm -62.93 -28.1 69.83 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -51.61 38.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -59.46 -48.02 83.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.174 0.511 . . . . 0.0 110.186 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.98 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -58.81 -35.86 73.54 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.16 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.13 -32.27 61.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 8.4 t -61.08 -43.14 99.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.226 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.809 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -62.03 -19.64 63.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.954 178.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 ttmm 100.37 20.15 0.0 OUTLIER 'General case' 0 C--N 1.339 0.152 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.9 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.98 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -79.88 125.07 82.83 Favored Pre-proline 0 CA--C 1.531 0.227 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.914 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 164.12 2.96 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.729 2.286 . . . . 0.0 113.028 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.5 OUTLIER -67.12 -29.14 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.972 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -75.8 -22.98 55.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.15 -42.66 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.236 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.497 ' HD2' ' HE2' ' A' ' 581' ' ' MET . 8.2 ptp180 -56.78 -37.56 71.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.2 -50.22 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -61.78 -52.08 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.115 0.483 . . . . 0.0 110.541 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.453 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 72.5 mt -59.01 -46.79 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.288 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 26.3 t90 -55.19 -43.84 74.74 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -58.3 -44.4 88.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.033 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.74 95.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.972 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.7 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.1 mm -67.0 -41.49 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.422 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 11.9 mt -58.74 -48.99 79.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -30.93 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -77.45 -31.28 53.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.63 -28.74 68.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -57.53 -30.88 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.68 -38.53 88.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.43 -42.04 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.83 93.16 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -66.69 167.76 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.2 m -147.22 141.69 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 3.4 t -117.91 89.6 34.48 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.44 159.88 9.93 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.532 2.154 . . . . 0.0 112.287 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.1 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.031 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.36 154.43 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.033 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.33 41.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -83.73 -174.08 5.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -120.74 127.18 51.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 17.0 p -120.01 115.35 33.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.39 77.24 0.95 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.407 2.071 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 1.8 m 59.83 85.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 2.7 p -138.6 -60.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -83.47 157.56 64.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.4 134.5 33.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.537 2.158 . . . . 0.0 112.246 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 2.5 m -59.5 -30.74 68.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.98 134.01 45.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.514 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m -71.74 138.1 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.028 0.442 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 60.1 p -105.16 153.02 22.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.287 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.716 HG22 HD12 ' A' ' 562' ' ' LEU . 21.8 mm -64.28 -28.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 0.0 109.715 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.26 -49.81 79.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.4 m -78.16 -36.18 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.325 0.584 . . . . 0.0 109.911 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.5 t80 -61.5 -46.59 89.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.502 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 562' ' ' LEU . 23.7 mt -74.08 -39.58 63.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.93 -37.81 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -28.61 68.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.786 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.692 HD11 ' CE2' ' A' ' 552' ' ' PHE . 11.5 mt -94.88 -18.14 21.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.61 47.24 5.19 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.491 ' O ' HD13 ' A' ' 553' ' ' LEU . 60.2 m -146.07 44.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -31.16 70.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 1.2 m -62.98 -26.0 68.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 1.5 m -70.9 -19.87 62.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.404 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.802 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.17 -38.74 53.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.624 0.25 . . . . 0.0 111.478 -179.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.44 -39.22 60.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 27.9 m-85 -66.52 -34.55 78.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.747 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.0 m-85 -75.44 -48.23 23.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 5.7 p -58.94 -37.92 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.069 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -24.83 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.329 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.499 ' HG3' HD22 ' A' ' 587' ' ' LEU . 7.1 mm100 -101.17 -13.98 17.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.73 0.3 . . . . 0.0 111.477 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 106.11 3.92 38.71 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.03 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.935 HD22 HG22 ' A' ' 576' ' ' ILE . 0.3 OUTLIER -86.72 111.9 21.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.953 0.377 . . . . 0.0 110.508 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 68.4 p -112.79 -27.73 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 5.1 p -107.15 150.62 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.277 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.0 tt -61.82 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.366 0.603 . . . . 0.0 109.502 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.35 -36.88 74.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.831 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -21.72 42.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.935 HG22 HD22 ' A' ' 570' ' ' LEU . 21.9 pt -123.57 15.56 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.462 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -50.59 -29.73 11.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.407 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -115.23 24.54 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.342 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.796 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.4 142.14 48.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 112.256 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 34.0 p -100.51 169.29 9.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.035 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.402 ' CE ' ' CD2' ' A' ' 595' ' ' HIS . 2.5 mtp -60.99 -29.89 69.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -53.35 31.12 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.254 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 46.1 m-20 -56.87 -50.21 73.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.032 0.444 . . . . 0.0 109.997 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.974 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -55.93 -35.85 67.08 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.17 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.05 -32.16 61.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 10.4 p -65.04 -34.42 78.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -69.05 -13.68 62.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.166 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 9.3 tmtt? 98.05 17.08 0.01 OUTLIER 'General case' 0 C--N 1.339 0.145 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.89 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.974 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -83.04 120.52 76.17 Favored Pre-proline 0 CA--C 1.531 0.224 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.391 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.99 160.81 9.54 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.84 2.36 . . . . 0.0 112.83 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 0.0 OUTLIER -65.54 -30.69 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -17.14 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -113.67 -34.21 5.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 111.257 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 5.9 ptp180 -61.04 -33.28 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.99 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . 0.402 ' CD2' ' CE ' ' A' ' 581' ' ' MET . 0.3 OUTLIER -63.95 -50.11 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.836 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.45 -50.0 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.654 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.619 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 45.0 mt -59.73 -47.41 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.526 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.562 ' CH2' HD11 ' A' ' 602' ' ' LEU . 11.4 t90 -57.86 -39.65 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.458 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -47.06 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.393 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.82 98.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.236 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.614 HD11 ' CE1' ' A' ' 552' ' ' PHE . 28.4 mm -66.26 -36.19 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.562 HD11 ' CH2' ' A' ' 598' ' ' TRP . 19.9 mt -65.73 -45.34 83.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.026 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -36.26 73.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -68.08 -39.13 82.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.989 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.38 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -73.22 -31.2 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.69 -36.6 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -42.1 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.58 93.07 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -176.88 87.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -36.45 64.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.79 167.12 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.23 168.95 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.619 2.213 . . . . 0.0 112.297 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 2.1 m -81.6 65.28 6.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -148.31 -47.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 617' ' ' LEU . 2.5 mp -94.53 -42.33 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 616' ' ' LEU . 3.5 mm? -127.1 130.75 50.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -112.44 42.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.57 87.64 2.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.62 -41.53 4.37 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 78.7 p -165.15 -58.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.89 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.2 m -83.01 -175.83 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -76.67 154.21 83.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.83 136.5 27.83 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.603 2.202 . . . . 0.0 112.397 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.52 -20.43 17.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.0 140.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.528 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.1 m -97.06 141.68 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.085 0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 68.5 p -105.29 152.49 22.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.034 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 553' ' ' LEU . 20.0 mm -63.95 -26.84 41.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.441 ' HA ' HD13 ' A' ' 562' ' ' LEU . 81.1 t -65.29 -49.82 76.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 37.3 t -78.18 -36.81 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.295 0.569 . . . . 0.0 109.806 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.849 ' CE2' HD11 ' A' ' 556' ' ' LEU . 1.1 t80 -60.02 -48.4 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.55 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 549' ' ' ILE . 36.6 mt -73.97 -38.64 64.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.27 67.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.849 HD11 ' CE2' ' A' ' 552' ' ' PHE . 2.6 mt -96.08 -18.25 20.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.46 47.65 5.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.436 ' O ' HD13 ' A' ' 553' ' ' LEU . 14.0 m -146.53 41.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -28.68 69.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -25.34 67.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 564' ' ' TYR . 64.3 m -71.59 -19.89 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.42 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.639 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -52.33 -37.72 56.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.481 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 567' ' ' THR . 49.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 110.716 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 561' ' ' CYS . 25.2 m-85 -71.65 -33.7 69.13 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.947 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.589 ' CD1' HG21 ' A' ' 549' ' ' ILE . 48.5 m-85 -75.36 -48.75 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 15.2 p -61.44 -41.33 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 563' ' ' ASP . 6.6 p -57.98 -18.94 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.332 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.756 ' HB3' HD12 ' A' ' 570' ' ' LEU . 5.0 tp-100 -106.91 -13.66 15.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.683 0.278 . . . . 0.0 111.456 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 103.77 21.5 9.65 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.934 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.4 mp -110.27 112.64 24.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.654 0.264 . . . . 0.0 110.387 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.08 -27.9 6.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.869 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 15.8 p -102.18 150.3 23.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 111.493 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' A' ' 547' ' ' CYS . 7.7 tt -64.22 -36.0 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.353 178.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -59.38 -35.84 74.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.939 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -57.57 -22.2 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.775 ' O ' HG21 ' A' ' 601' ' ' ILE . 31.9 pt -123.56 15.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.538 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.536 ' HA ' HG23 ' A' ' 601' ' ' ILE . 10.5 tp10 -50.6 -31.25 15.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.753 0.311 . . . . 0.0 111.342 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -116.72 27.38 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.08 143.31 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.39 0.614 . . . . 0.0 112.279 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.4 p -100.6 163.96 12.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.87 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -29.64 63.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -67.66 -52.65 35.45 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.381 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.89 -46.46 84.88 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.134 0.493 . . . . 0.0 110.207 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.971 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.92 -34.62 73.46 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.995 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.08 -32.54 61.5 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.839 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -40.63 96.98 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.209 179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -63.79 -17.15 62.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.056 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER 100.11 19.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.175 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.971 HD13 HD23 ' A' ' 584' ' ' LEU . 2.2 mp -83.71 119.84 74.28 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.082 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.2 166.35 4.43 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.85 2.367 . . . . 0.0 112.891 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.4 mp0 -64.63 -39.92 94.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.25 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -14.86 61.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.634 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.39 -50.22 2.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 3.8 ptm180 -54.93 -28.36 50.45 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -50.16 65.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.667 0.27 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.13 71.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.139 0.495 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.418 ' O ' HG12 ' A' ' 601' ' ' ILE . 50.3 mt -60.04 -44.75 95.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.384 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.713 ' CE2' HD11 ' A' ' 602' ' ' LEU . 31.1 t90 -55.88 -46.4 78.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -58.97 -43.03 91.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.335 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.52 96.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.117 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.775 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.3 mm -65.49 -39.48 85.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.86 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.713 HD11 ' CE2' ' A' ' 598' ' ' TRP . 5.8 mt -61.54 -42.13 98.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -45.59 87.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . 0.744 ' HA ' HD12 ' A' ' 607' ' ' LEU . 14.3 t60 -66.14 -31.03 71.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -47.03 86.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -64.58 -31.77 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 604' ' ' HIS . 61.6 mt -65.32 -30.09 70.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.64 -23.64 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -71.39 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.934 0.397 . . . . 0.0 111.102 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -147.72 -59.02 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.6 t 61.13 31.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 137.97 27.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -77.17 60.05 6.79 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.582 2.188 . . . . 0.0 112.453 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . 0.511 ' CB ' HD11 ' A' ' 617' ' ' LEU . 0.3 OUTLIER -143.31 156.39 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -102.71 -70.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.59 136.34 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.511 HD11 ' CB ' ' A' ' 614' ' ' SER . 2.7 mp -147.29 -43.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.036 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.94 -34.81 13.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.271 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 47.3 p -146.87 86.41 6.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -47.84 24.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.645 2.23 . . . . 0.0 112.217 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 64.2 p -111.36 132.32 54.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 5.4 t -166.05 79.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.73 157.11 74.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 133.35 25.32 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.522 2.148 . . . . 0.0 112.279 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 3.2 m 60.37 164.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.16 -176.63 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 573' ' ' ILE . 71.2 m -64.65 111.93 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.197 0.523 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 74.7 p -105.0 154.6 19.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.147 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.734 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -63.51 -26.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.108 0.48 . . . . 0.0 109.874 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.434 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -67.26 -49.99 67.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.157 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 9.1 t -78.14 -32.5 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.97 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.561 ' CG ' HD12 ' A' ' 573' ' ' ILE . 1.7 t80 -64.77 -47.29 78.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.658 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -74.03 -39.39 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.591 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -58.27 -37.37 74.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -62.78 -28.12 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 553' ' ' LEU . 2.8 mt -92.2 -18.07 23.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 89.6 22.82 35.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.747 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.66 50.61 2.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.923 0.392 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -28.34 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 9.1 m -58.04 -22.08 48.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.233 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.43 -19.79 62.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.481 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.734 HD12 HG22 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -50.98 -36.43 38.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.622 -179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.723 ' O ' HG23 ' A' ' 567' ' ' THR . 1.0 OUTLIER -52.47 -40.19 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.93 -33.27 75.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.514 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 48.4 m-85 -75.44 -48.28 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 9.3 p -58.88 -38.98 80.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 563' ' ' ASP . 28.9 p -55.82 -23.79 32.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.384 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -103.23 -13.82 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 111.244 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 105.43 3.82 40.73 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.846 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.87 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -83.82 111.9 19.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 1.2 m -112.05 -28.38 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 1.4 p -109.46 152.91 24.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.561 HD12 ' CG ' ' A' ' 552' ' ' PHE . 6.7 tt -70.11 -34.98 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -53.59 -40.26 65.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.559 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -25.69 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.671 179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.827 ' CG2' HD22 ' A' ' 570' ' ' LEU . 22.2 pt -116.08 15.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.31 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.38 -32.47 11.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.651 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -116.27 29.79 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.87 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.96 143.52 47.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.368 0.604 . . . . 0.0 112.376 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.7 p -100.37 166.54 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.182 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . 0.422 ' HE3' ' CE3' ' A' ' 598' ' ' TRP . 0.0 OUTLIER -59.4 -29.8 67.99 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -66.82 -52.4 44.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.237 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 41.5 m-20 -58.68 -52.33 66.16 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.932 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -54.48 -35.36 63.0 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 121.657 0.742 . . . . 0.0 110.306 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.1 -33.96 61.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.863 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 11.7 t -64.71 -35.36 80.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.109 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.753 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -65.46 -16.57 63.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.917 178.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 2.9 ttmm 100.11 16.37 0.01 OUTLIER 'General case' 0 C--N 1.339 0.133 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.87 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.932 HD13 HD23 ' A' ' 584' ' ' LEU . 1.8 mp -81.62 124.18 80.09 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 120.004 -0.679 . . . . 0.0 110.21 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -53.65 164.61 2.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.004 2.469 . . . . 0.0 113.175 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 1.3 tt0 -70.14 -32.78 70.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.57 -20.19 61.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -107.17 -39.3 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 111.403 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.2 ptp180 -54.88 -33.95 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.199 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -49.97 68.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.749 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.16 73.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.12 0.486 . . . . 0.0 110.596 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.533 HD12 HG21 ' A' ' 589' ' ' ILE . 72.6 mt -59.83 -46.13 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.518 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.475 ' CE2' HD11 ' A' ' 602' ' ' LEU . 12.5 t90 -58.34 -44.91 88.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.266 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -38.31 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.079 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.39 96.11 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.04 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.741 HG21 ' O ' ' A' ' 576' ' ' ILE . 17.6 mt -60.3 -52.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 598' ' ' TRP . 15.5 mt -60.26 -41.04 92.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.49 -30.95 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -67.54 -29.75 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -77.29 -33.45 55.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.1 -32.75 73.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -38.59 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.58 101.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -90.36 151.52 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 60.2 m -148.1 169.04 20.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 46.3 t -171.82 101.42 0.38 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.67 -41.97 7.55 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.372 2.048 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 29.8 t -72.64 143.15 48.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.2 m80 61.34 179.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 80.7 mt -94.28 170.17 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 617' ' ' LEU . 2.2 pt? -56.83 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.018 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -147.68 -71.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 18.7 m -112.94 97.2 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.22 115.64 2.01 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.528 2.152 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 48.4 m -113.67 115.17 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.88 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 61.5 m -128.42 151.53 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -64.84 161.56 45.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.19 153.96 11.78 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.8 p -70.55 179.07 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.48 -69.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 573' ' ' ILE . 51.7 t -95.35 127.35 41.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.014 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 552' ' ' PHE . 54.1 p -105.22 160.14 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.097 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.81 HG22 HD12 ' A' ' 562' ' ' LEU . 13.6 mm -66.0 -28.85 45.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 109.766 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.06 -49.59 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.8 p -78.18 -36.57 47.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.277 0.561 . . . . 0.0 110.034 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 556' ' ' LEU . 4.8 t80 -61.21 -50.3 73.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.797 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 562' ' ' LEU . 21.5 mt -73.69 -41.06 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.58 -36.56 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -28.46 65.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 552' ' ' PHE . 9.8 mt -94.21 -18.06 22.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.246 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 86.66 46.91 5.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 553' ' ' LEU . 86.8 m -143.68 40.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 50.5 p -60.53 -30.34 69.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -26.59 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.3 m -73.21 -19.86 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.309 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.81 HD12 HG22 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -51.31 -37.24 46.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.537 -179.592 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -52.47 -38.56 59.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 38.1 m-85 -67.59 -34.45 77.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.48 ' CE2' HD11 ' A' ' 553' ' ' LEU . 47.4 m-85 -75.52 -48.48 22.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.007 0.432 . . . . 0.0 110.86 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.6 -34.83 74.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.142 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -22.54 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.569 ' HG3' HD22 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -106.45 -13.79 15.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 109.13 3.83 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.588 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.809 HD22 HG22 ' A' ' 576' ' ' ILE . 0.4 OUTLIER -85.31 111.81 20.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.65 -28.44 6.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.226 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 548' ' ' SER . 2.5 p -102.8 150.08 23.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.074 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 547' ' ' CYS . 4.9 tt -62.9 -39.22 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 109.783 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -57.29 -35.93 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -57.92 -21.82 45.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.809 HG22 HD22 ' A' ' 570' ' ' LEU . 31.3 pt -122.66 15.31 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.471 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.464 ' HA ' HG23 ' A' ' 601' ' ' ILE . 2.7 tt0 -52.06 -25.85 9.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.739 0.304 . . . . 0.0 111.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -117.19 25.66 10.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.219 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.785 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -72.72 140.8 48.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.454 0.645 . . . . 0.0 112.461 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 41.2 p -100.72 171.56 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.935 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -29.54 70.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -52.14 38.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.485 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.17 -48.56 79.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 110.239 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 1.051 HD23 HD13 ' A' ' 589' ' ' ILE . 0.5 OUTLIER -59.29 -35.0 72.96 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.289 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . 0.656 ' HB2' ' CZ ' ' A' ' 594' ' ' ARG . . . -75.05 -33.33 61.71 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.992 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -42.72 99.13 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.101 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.2 OUTLIER -61.47 -19.94 62.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.563 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 19.3 ttmt 98.1 23.13 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.911 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 1.051 HD13 HD23 ' A' ' 584' ' ' LEU . 1.7 mp -80.83 125.99 78.84 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.227 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.37 145.54 78.04 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.636 2.224 . . . . 0.0 112.843 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 594' ' ' ARG . 3.8 mt-10 -55.24 -23.39 22.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.36 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -78.16 -15.85 58.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.654 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -112.91 -46.54 3.11 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.656 ' CZ ' ' HB2' ' A' ' 585' ' ' ALA . 0.1 OUTLIER -55.0 -29.31 57.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.575 0.226 . . . . 0.0 111.281 -179.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -50.24 60.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.45 75.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.201 0.524 . . . . 0.0 110.24 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 601' ' ' ILE . 25.6 mt -59.69 -45.81 94.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.098 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.772 ' CE2' HD11 ' A' ' 602' ' ' LEU . 26.2 t90 -55.86 -45.61 78.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.07 83.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.182 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.86 -38.96 96.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.218 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.703 HG21 ' O ' ' A' ' 576' ' ' ILE . 35.0 mm -68.17 -37.96 78.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 598' ' ' TRP . 3.3 mt -66.44 -48.86 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.73 -31.51 68.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -78.01 -34.56 50.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -76.26 -31.3 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -59.95 -31.1 69.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.95 -35.04 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -33.48 20.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.28 88.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -88.0 -178.25 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 3.2 m -111.23 -32.82 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.3 m -132.32 91.4 31.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -68.87 -32.6 22.21 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.479 2.119 . . . . 0.0 112.275 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 20.1 m -119.53 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -98.92 112.09 24.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.4 mt 62.63 123.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 617' ' ' LEU . 4.0 mm? -109.0 146.29 34.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -77.67 176.86 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 10.0 t -142.59 137.02 14.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.01 174.45 12.36 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.358 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 69.9 m -158.39 -47.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.897 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.29 97.94 3.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -129.59 148.49 69.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.17 130.29 16.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.595 2.196 . . . . 0.0 112.396 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.97 158.91 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.793 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . 0.412 ' OD2' ' CE1' ' A' ' 574' ' ' TYR . 18.8 m-20 -157.76 149.59 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.522 ' CB ' HG21 ' A' ' 573' ' ' ILE . 1.3 m -70.09 140.59 52.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 64.8 p -105.31 154.82 19.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.314 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 562' ' ' LEU . 23.5 mm -64.5 -27.72 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.672 178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.405 ' HA ' HD13 ' A' ' 562' ' ' LEU . 60.9 t -65.08 -49.64 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -36.11 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.304 0.573 . . . . 0.0 109.785 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 556' ' ' LEU . 1.2 t80 -62.06 -45.51 93.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.425 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 562' ' ' LEU . 18.5 mt -71.73 -40.98 69.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.12 70.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -65.7 -29.17 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 552' ' ' PHE . 3.5 mt -98.43 -18.12 18.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.71 48.93 4.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.567 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 553' ' ' LEU . 34.0 m -148.44 45.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 4.7 m -60.55 -29.58 69.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 8.2 m -62.83 -26.78 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 1.2 m -69.77 -19.82 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.415 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.911 HD12 HD12 ' A' ' 553' ' ' LEU . 0.3 OUTLIER -51.08 -37.58 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.598 -179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.46 -37.32 56.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 31.1 m-85 -68.79 -34.62 75.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.728 ' HZ ' HG21 ' A' ' 597' ' ' ILE . 44.5 m-85 -75.68 -48.45 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 1.5 p -60.85 -36.12 78.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -22.15 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.648 ' HG3' HD22 ' A' ' 587' ' ' LEU . 3.2 mm100 -106.46 -13.9 15.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.336 . . . . 0.0 111.369 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 108.64 3.77 32.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.868 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 579' ' ' TYR . 0.4 OUTLIER -84.8 111.87 20.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.523 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 69.1 p -115.35 -27.17 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.397 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.14 146.81 28.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.522 HG21 ' CB ' ' A' ' 547' ' ' CYS . 8.1 tt -60.84 -36.93 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 109.726 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.412 ' CE1' ' OD2' ' A' ' 546' ' ' ASP . 34.1 m-85 -59.96 -33.9 72.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.878 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -22.24 44.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.802 ' CG2' HD22 ' A' ' 570' ' ' LEU . 27.7 pt -123.98 15.19 4.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.589 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.452 ' HA ' HG23 ' A' ' 601' ' ' ILE . 22.7 tt0 -50.66 -26.57 5.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 111.467 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -118.81 29.45 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -74.82 140.96 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.376 0.608 . . . . 0.0 112.473 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.5 p -100.37 171.77 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.062 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -29.04 70.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -51.21 42.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.268 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -59.58 -47.39 85.76 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 110.142 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 1.018 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -59.11 -35.93 74.28 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.132 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.37 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.945 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 34.5 t -61.74 -42.0 98.39 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.823 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.3 OUTLIER -62.9 -18.67 63.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.906 178.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.558 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 13.1 tttm 97.73 21.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.812 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 1.018 HD13 HD23 ' A' ' 584' ' ' LEU . 1.5 mp -78.93 125.79 83.33 Favored Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.317 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -53.54 159.69 6.13 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.792 2.328 . . . . 0.0 113.009 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 4.0 tt0 -67.62 -28.78 68.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 -18.43 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.471 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -112.18 -34.94 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.683 0.278 . . . . 0.0 111.327 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 10.9 ptp180 -54.88 -38.98 68.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.8 0.334 . . . . 0.0 111.085 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -50.07 66.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.757 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -59.5 -52.02 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.099 0.476 . . . . 0.0 110.597 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.728 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 63.7 mt -59.78 -49.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.263 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 20.9 t90 -55.8 -41.35 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.368 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -59.71 -43.19 94.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.28 -42.19 99.71 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.12 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 576' ' ' ILE . 37.0 mm -63.27 -42.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 15.8 mt -67.97 -44.26 77.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.997 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -35.18 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -61.75 -33.03 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -75.59 -31.67 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -80.8 -33.12 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.3 -25.27 65.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -73.88 -30.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -102.13 84.11 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.57 165.36 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 60.2 p -115.28 -44.73 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.3 m -63.89 147.85 95.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.67 126.21 11.85 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.572 2.182 . . . . 0.0 112.318 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 1.3 m -144.81 -71.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.98 96.24 6.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 9.0 mt -131.94 122.88 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 94.3 mt -91.98 118.66 30.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -102.81 146.28 28.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . . . . . . . . . 1.5 m -64.35 111.49 5.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.54 179.62 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.454 2.103 . . . . 0.0 112.232 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 6.8 m -150.54 141.54 22.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' SER . . . . . . . . . . . . . 1.4 m -129.91 31.59 4.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 59.77 160.66 0.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.99 137.2 53.13 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.565 2.177 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 14.8 p -136.7 170.67 15.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -159.34 -68.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 573' ' ' ILE . 8.9 m -85.17 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 54.5 p -105.38 154.34 20.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.112 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.771 HG22 HD12 ' A' ' 562' ' ' LEU . 21.2 mm -63.67 -28.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' VAL . . . . . 0.409 ' HA ' HD13 ' A' ' 562' ' ' LEU . 54.6 t -63.77 -49.81 80.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 4.1 m -78.12 -36.59 47.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' PHE . . . . . 0.653 ' CE1' HD11 ' A' ' 601' ' ' ILE . 2.3 t80 -60.69 -46.76 89.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.429 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 562' ' ' LEU . 20.2 mt -73.98 -39.35 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -55.47 -37.16 67.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -30.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.709 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . 0.486 HD11 ' CE2' ' A' ' 552' ' ' PHE . 8.1 mt -92.08 -18.15 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . 85.82 41.83 7.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 86.0 m -141.2 45.89 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 34.2 t -59.86 -30.17 68.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 34.7 t -62.78 -27.81 69.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' CYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 564' ' ' TYR . 3.3 m -67.2 -19.9 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.366 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 553' ' ' LEU . 0.2 OUTLIER -54.21 -36.48 63.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.655 0.264 . . . . 0.0 111.374 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.666 ' O ' HG23 ' A' ' 567' ' ' THR . 4.3 m-20 -52.47 -36.51 55.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 561' ' ' CYS . 35.5 m-85 -70.55 -33.98 71.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.817 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 587' ' ' LEU . 52.0 m-85 -75.27 -48.57 22.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.4 p -60.01 -42.82 95.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 563' ' ' ASP . 27.5 p -58.1 -20.02 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' GLN . . . . . 0.685 ' HB3' HD12 ' A' ' 570' ' ' LEU . 0.1 OUTLIER -105.0 -13.6 15.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.64 0.257 . . . . 0.0 111.408 -179.78 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 102.22 28.13 6.6 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.851 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.851 HD21 ' OH ' ' A' ' 579' ' ' TYR . 1.5 mp -117.8 113.44 21.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.759 0.314 . . . . 0.0 110.631 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' THR . . . . . . . . . . . . . 60.1 p -118.54 -24.91 6.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.854 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' THR . . . . . . . . . . . . . 3.3 p -104.88 148.33 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 111.416 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 547' ' ' CYS . 6.8 tt -64.33 -38.39 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 109.658 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -55.63 -37.14 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.779 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.19 45.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' ILE . . . . . 0.756 ' O ' HG21 ' A' ' 601' ' ' ILE . 30.2 pt -123.98 15.3 4.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.649 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' GLU . . . . . 0.48 ' HA ' HG23 ' A' ' 601' ' ' ILE . 40.9 tp10 -50.16 -30.41 11.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.493 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -119.76 29.92 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' TYR . . . . . 0.851 ' OH ' HD21 ' A' ' 570' ' ' LEU . 0.6 OUTLIER -73.4 144.45 46.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 112.409 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.3 p -100.56 165.79 11.24 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.999 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -30.03 68.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.95 -52.95 36.65 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.331 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' ASP . . . . . 0.43 ' O ' ' HG ' ' A' ' 587' ' ' LEU . 40.0 m-20 -57.49 -50.27 73.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.062 0.458 . . . . 0.0 110.187 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.983 HD23 HD13 ' A' ' 589' ' ' ILE . 0.4 OUTLIER -56.19 -35.91 67.8 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.111 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.01 61.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.005 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -36.22 83.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.223 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.771 ' HB2' HD12 ' A' ' 589' ' ' ILE . 0.7 OUTLIER -68.7 -12.43 61.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.261 178.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 587' ' ' LEU . 1.3 tptt 97.0 17.2 0.01 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.157 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' ILE . . . . . 0.983 HD13 HD23 ' A' ' 584' ' ' LEU . 1.9 mp -81.75 124.89 79.18 Favored Pre-proline 0 CA--C 1.531 0.242 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.022 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.01 166.68 1.43 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.838 2.358 . . . . 0.0 113.128 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.5 ' HA ' ' HG2' ' A' ' 594' ' ' ARG . 11.2 tt0 -72.65 -27.47 62.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.193 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -77.85 -23.52 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.464 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.57 -41.45 6.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' ARG . . . . . 0.5 ' HG2' ' HA ' ' A' ' 591' ' ' GLU . 9.7 ptp180 -55.56 -32.39 62.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.173 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -50.08 66.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.43 75.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.204 0.526 . . . . 0.0 110.474 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' ILE . . . . . 0.46 HG21 ' HZ ' ' A' ' 565' ' ' PHE . 65.7 mt -59.77 -48.26 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.401 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' A' ' 602' ' ' LEU . 18.2 t90 -55.94 -42.13 75.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -44.88 92.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.205 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.56 97.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.14 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ILE . . . . . 0.756 HG21 ' O ' ' A' ' 576' ' ' ILE . 33.2 mm -66.81 -46.55 85.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.866 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 598' ' ' TRP . 10.9 mt -58.92 -42.96 90.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.82 -38.04 77.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' HIS . . . . . 0.651 ' HA ' HD12 ' A' ' 607' ' ' LEU . 30.6 t60 -63.56 -38.11 89.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -65.14 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -33.1 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 604' ' ' HIS . 12.3 mt -67.25 -37.06 82.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.24 -39.86 16.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.9 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -48.23 3.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.25 113.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.93 87.17 41.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -51.82 -42.81 55.45 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.519 2.146 . . . . 0.0 112.392 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' SER . . . . . . . . . . . . . 2.4 m -158.28 115.2 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 60.54 -177.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' LEU . . . . . . . . . . . . . 5.2 mt -114.96 -175.17 2.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.38 156.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' ARG . . . . . . . . . . . . . 44.5 ttm-85 -147.45 105.82 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 620' ' ' PRO . 0.2 OUTLIER -71.78 -52.42 8.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 619' ' ' THR . 68.2 Cg_endo -74.66 131.06 14.27 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.353 2.035 . . . . 0.0 112.455 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' SER . . . . . . . . . . . . . 30.7 t -146.75 153.19 39.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.873 -179.954 . . . . . . . . 0 0 . 1 stop_ save_