data_5agq_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 5agq _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 ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 121.071 0.462 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.45 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.6 OUTLIER -98.4 153.69 37.91 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.114 174.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.96 -40.74 75.1 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.484 2.123 . . . . 0.0 111.538 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.45 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.0 pt-20 -59.32 -39.53 83.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.609 178.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -71.15 -33.49 70.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.252 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.586 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 83.8 t -74.98 -30.05 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.618 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 7.9 ptm180 -79.95 -15.61 56.92 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.215 -0.303 . . . . 0.0 110.843 174.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.95 -50.3 69.38 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 122.565 0.346 . . . . 0.0 111.081 176.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.586 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.7 Cg_exo -55.61 -38.97 93.63 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.468 2.112 . . . . 0.0 112.256 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 59.4 mt -65.67 -25.83 67.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.47 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 58.7 mt-30 -77.79 -24.48 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.636 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -101.12 -25.58 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.09 -24.61 0.61 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 119.756 -1.212 . . . . 0.0 113.31 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 52.2 m95 -68.61 159.45 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.688 0.28 . . . . 0.0 110.366 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -133.96 157.05 47.02 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.506 ' CZ ' ' H ' ' A' ' 592' ' ' GLY . 0.0 OUTLIER -147.21 121.75 9.76 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 121.452 0.644 . . . . 0.0 111.184 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -115.46 142.56 46.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.251 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 535' ' ' ARG . 91.5 t -117.6 123.28 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.335 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 22.6 mmt180 -102.39 120.07 39.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.023 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.0 mt -113.63 122.76 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.454 0.645 . . . . 0.0 110.427 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -128.92 146.06 51.05 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.78 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -78.43 125.0 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.224 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.23 168.48 28.45 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.539 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -71.54 -22.56 61.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 110.272 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -108.62 -52.56 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -139.78 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.067 -168.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.5 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.9 m95 -83.0 125.0 30.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.262 173.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.81 161.23 29.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.602 0.715 . . . . 0.0 111.959 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -155.33 151.35 22.94 Favored Glycine 0 N--CA 1.439 -1.123 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.95 149.91 45.29 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.778 0.799 . . . . 0.0 111.082 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 76.3 m -106.51 126.67 52.55 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.734 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -108.97 149.25 29.49 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.634 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 1.1 m-85 -132.0 152.01 51.39 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.717 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -134.56 129.16 34.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.351 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.85 131.13 25.64 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.479 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.46 -7.24 20.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.541 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 38.3 t -140.63 5.78 2.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.582 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.47 -146.0 4.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.282 -170.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -175.87 3.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.149 -0.526 . . . . 0.0 111.164 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.12 142.21 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.21 0.529 . . . . 0.0 110.714 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.503 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.5 mpp? -127.04 147.62 50.14 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.966 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 6.38 2.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.575 0.702 . . . . 0.0 110.014 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.446 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.0 mm100 -113.75 145.68 41.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.9 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.661 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 11.0 t80 -57.29 -49.22 95.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.327 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 38.0 Cg_endo -64.47 -13.92 41.3 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.387 2.058 . . . . 0.0 112.678 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 37.1 mt-10 -83.48 -28.14 28.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 111.18 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.547 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 60.0 t -79.02 -44.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.637 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.676 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.92 -33.64 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.208 0.528 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.557 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -73.83 -37.42 64.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.722 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.662 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 34.0 t80 -62.47 -41.76 99.01 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.9 mt -66.89 -38.11 85.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.354 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -72.05 -29.85 64.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.309 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 56.6 mtp180 -86.93 -36.01 18.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.637 -176.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -108.53 169.98 8.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.98 116.81 33.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.998 0.428 . . . . 0.0 109.998 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.53 127.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -128.3 -22.43 3.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.338 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 23.8 p -73.43 -44.28 58.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 111.077 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.3 m -122.46 136.3 59.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.161 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -113.93 176.92 4.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -32.04 48.43 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.99 -29.7 69.84 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.493 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 46.6 m80 -73.73 -10.94 60.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.682 0.753 . . . . 0.0 110.503 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -107.89 125.44 51.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.592 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 31.0 m -136.75 132.88 35.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.507 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.5 m-85 -103.23 0.87 32.21 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.69 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 35.2 m -61.14 119.69 47.91 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 173.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . 0.416 ' HB2' HD11 ' A' ' 621' ' ' ILE . 96.7 Cg_endo -74.2 10.17 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.688 2.259 . . . . 0.0 112.125 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 58.1 mtm180 -99.14 1.59 45.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.487 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 59.0 tpp -92.98 105.04 13.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 84.1 Cg_endo -82.3 60.76 7.49 Favored 'Trans proline' 0 N--CA 1.466 -0.118 0 C-N-CA 123.315 2.677 . . . . 0.0 113.043 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 525' ' ' VAL . 80.9 t -101.77 -71.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . 0.506 ' H ' ' CZ ' ' A' ' 535' ' ' ARG . . . -92.4 -115.9 2.25 Favored Glycine 0 CA--C 1.504 -0.65 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.051 -174.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.25 139.21 39.0 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.444 0.64 . . . . 0.0 111.258 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 132.53 55.24 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.014 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.06 153.61 48.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.702 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -131.9 125.3 31.35 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.81 123.87 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.239 0.543 . . . . 0.0 109.839 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -134.98 157.32 47.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.417 -173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -100.23 136.87 39.46 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.551 0.691 . . . . 0.0 110.974 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.1 p -131.0 164.66 40.63 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.149 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.32 -11.45 19.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.63 2.22 . . . . 0.0 112.769 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.5 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.0 pt-20 -99.87 -17.89 17.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.496 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.74 -170.27 24.04 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.768 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.8 mt -80.74 120.93 25.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.23 0.538 . . . . 0.0 110.11 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.446 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.1 pt20 -135.43 149.31 49.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.67 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . 0.401 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.4 m95 -87.52 110.79 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.39 128.6 44.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.459 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.51 135.61 42.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.458 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 32.5 mt -96.18 141.22 29.8 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.492 ' OG ' ' HG3' ' A' ' 613' ' ' GLU . 10.3 p -78.34 165.93 23.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.426 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -51.29 -35.67 38.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 122.597 0.359 . . . . 0.0 111.141 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.03 -32.61 69.41 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . 0.492 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 42.0 mt-10 -81.07 -28.91 35.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.906 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 610' ' ' SER . 42.5 mt -47.58 -58.87 6.56 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 30.3 Cg_endo -63.33 -27.38 71.55 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.396 2.064 . . . . 0.0 112.614 -175.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.5 m -67.93 -40.65 83.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 110.113 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -72.22 -39.07 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.809 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -56.23 -38.01 52.54 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.873 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 34.4 mm-40 -59.49 -34.85 73.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.07 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.24 27.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 587' ' ' PRO . 40.4 pt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.322 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.455 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.4 OUTLIER -99.06 146.32 31.5 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.43 -41.98 63.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.71 -39.05 79.66 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.542 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.42 -32.84 66.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.518 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 75.7 t -72.79 -31.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 37.8 ptt180 -80.83 -15.95 55.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.718 175.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.44 -49.22 83.56 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 122.621 0.369 . . . . 0.0 111.212 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.2 Cg_exo -55.52 -38.62 93.88 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.246 1.964 . . . . 0.0 111.993 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 26.4 mt -66.07 -23.1 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.245 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 28.7 mt-30 -87.3 -9.91 53.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -108.74 -25.96 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.42 -22.89 1.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.006 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.414 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 45.9 m95 -67.23 161.41 24.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.634 0.254 . . . . 0.0 110.335 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.77 160.3 31.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.608 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.92 119.1 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.477 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -113.47 142.54 45.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.148 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.9 116.15 51.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -104.67 118.27 36.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.913 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 42.1 mt -112.25 123.24 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.45 0.643 . . . . 0.0 110.555 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -129.18 149.43 50.99 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.804 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.467 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -72.88 129.37 38.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -99.49 167.89 21.47 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.772 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.9 m -71.97 -15.76 62.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.1 -57.01 2.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -144.21 -169.68 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.149 0.499 . . . . 0.0 110.892 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.467 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 38.7 m95 -86.5 123.99 32.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.418 172.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -126.6 151.07 48.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.671 0.748 . . . . 0.0 112.098 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.18 21.62 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.896 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -137.93 148.21 45.07 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.279 0.561 . . . . 0.0 110.205 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.2 m -105.9 125.6 51.19 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.819 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -108.47 146.36 33.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.65 0.738 . . . . 0.0 110.297 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 14.6 m-85 -129.29 150.02 50.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.206 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.663 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 40.1 m-85 -134.4 132.32 39.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -64.63 141.21 43.68 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.323 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -52.3 -29.91 40.36 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.131 2.554 . . . . 0.0 113.554 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 16.0 p -141.14 -22.77 0.76 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.635 0.255 . . . . 0.0 111.365 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -82.88 -147.53 7.0 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.731 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.48 6.88 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.418 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.28 140.37 49.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.367 0.603 . . . . 0.0 110.828 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -126.47 145.2 50.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.461 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 13.62 2.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.685 0.755 . . . . 0.0 109.992 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.49 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.1 mm100 -123.7 145.28 49.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.584 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.755 ' CE1' HD12 ' A' ' 567' ' ' ILE . 11.3 t80 -56.8 -50.49 87.71 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.553 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 39.0 Cg_endo -64.89 -15.07 48.54 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.246 1.964 . . . . 0.0 112.794 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 24.2 mm-40 -85.65 -26.6 25.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.205 0.526 . . . . 0.0 111.07 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.564 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.2 t -78.56 -42.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 563' ' ' PHE . 10.2 mm -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 121.111 0.482 . . . . 0.0 111.398 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.6 ptpt -74.01 -37.18 64.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.206 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.15 -45.12 94.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.112 0.482 . . . . 0.0 109.863 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.1 mt -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.632 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 15.8 t -73.43 -34.53 65.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.911 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.9 mtp180 -83.82 -39.13 20.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.533 -176.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -105.61 168.56 9.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.79 115.87 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.011 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 578' ' ' VAL . 24.5 t -146.48 104.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.813 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -113.86 -19.18 11.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.649 0.261 . . . . 0.0 111.456 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 20.1 m -69.25 -41.77 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.164 0.507 . . . . 0.0 110.211 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 528' ' ' PRO . 12.2 m -121.82 134.86 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.562 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -113.52 175.58 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.416 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.34 -31.87 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.06 -29.17 70.11 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.8 m80 -74.1 -11.78 60.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.516 0.674 . . . . 0.0 110.765 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 0.573 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 63.6 m-85 -106.17 127.19 53.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.242 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -134.97 132.93 38.97 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.2 m-85 -105.1 -4.7 21.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 111.621 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 50.3 m -61.86 117.34 27.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -75.1 11.27 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.645 2.23 . . . . 0.0 112.478 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -95.51 -0.38 52.24 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 60.4 tpp -97.49 104.2 19.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.322 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 86.3 Cg_endo -82.16 71.41 6.64 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.907 2.404 . . . . 0.0 112.558 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 589' ' ' MET . 78.4 t -106.98 -72.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.75 -101.65 0.63 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 119.747 -1.216 . . . . 0.0 112.886 -170.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.91 139.05 53.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.093 0.473 . . . . 0.0 110.156 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 13.7 m-85 -121.53 132.18 54.55 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.236 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 11.0 m-85 -130.78 153.77 48.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.469 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . 0.415 ' HB2' HD12 ' A' ' 609' ' ' LEU . 15.3 tt0 -131.47 127.2 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.97 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.53 124.36 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -133.62 157.92 44.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.358 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -99.51 136.85 38.84 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.478 0.656 . . . . 0.0 111.021 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.542 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.4 p -131.27 164.57 41.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.29 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.6 Cg_endo -61.82 -11.12 19.53 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.776 2.317 . . . . 0.0 112.768 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.509 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -102.33 -16.77 16.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.964 0.411 . . . . 0.0 110.287 175.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.52 -166.16 25.62 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.685 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.9 mt -84.64 119.32 25.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.31 0.576 . . . . 0.0 110.396 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.494 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.1 pt20 -133.69 146.92 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.77 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -89.21 110.35 21.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 31.5 t -92.7 127.58 44.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.107 0.48 . . . . 0.0 110.288 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.83 134.58 43.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.848 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 596' ' ' GLU . 28.9 mt -95.99 142.02 28.71 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -77.91 165.89 23.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.28 -34.98 48.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.035 0.209 . . . . 0.0 111.482 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.49 -28.72 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.53 -28.97 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 618' ' ' ILE . 48.3 mt -47.95 -58.6 7.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.927 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.475 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.83 -28.97 82.12 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.433 2.089 . . . . 0.0 112.606 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -39.68 89.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.308 0.575 . . . . 0.0 109.762 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.93 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.909 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.5 mt -56.45 -38.1 54.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.555 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 92.9 mm-40 -61.72 -33.97 74.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.89 53.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.371 -177.083 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 120.75 0.309 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.31 146.84 33.36 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.049 175.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.33 -42.66 66.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.841 2.36 . . . . 0.0 112.316 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.14 -41.8 72.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.7 -34.49 69.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.503 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.53 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 86.2 t -70.85 -31.33 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.4 ptp180 -81.55 -15.45 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.271 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -49.8 76.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 122.366 0.267 . . . . 0.0 111.287 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.8 Cg_exo -56.84 -37.13 98.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.405 2.07 . . . . 0.0 112.427 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -64.1 -27.88 69.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.115 0.483 . . . . 0.0 110.545 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 42.5 mt-30 -77.76 -24.36 49.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.585 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -99.64 -23.98 14.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.61 -22.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 119.733 -1.222 . . . . 0.0 112.831 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.483 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 63.8 m95 -66.67 158.87 28.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -129.52 160.88 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.662 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.8 ttt180 -144.96 118.43 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.991 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -118.09 141.02 48.92 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.255 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.1 t -117.28 123.37 71.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.247 0.546 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . 0.426 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 71.3 mtt180 -103.09 121.59 42.93 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.125 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.55 122.92 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 121.533 0.683 . . . . 0.0 110.247 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.57 144.76 51.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.812 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.4 tptm -75.01 127.51 33.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.057 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.38 168.48 17.64 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.914 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -29.71 68.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.091 0.472 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -98.69 -46.49 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -153.42 -174.57 4.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.358 0.599 . . . . 0.0 111.274 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.419 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.1 m95 -86.46 124.81 33.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.083 172.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -127.64 158.76 36.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.689 0.757 . . . . 0.0 111.894 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.28 151.4 23.65 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.939 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -136.93 146.56 45.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.504 0.669 . . . . 0.0 110.486 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 52.6 m -109.15 125.71 52.47 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -108.71 148.15 30.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.737 0.779 . . . . 0.0 110.579 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.579 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 17.4 m-85 -131.42 153.81 49.31 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.177 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.47 129.46 33.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.488 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.33 134.41 31.03 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.838 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.65 -7.29 20.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.895 2.396 . . . . 0.0 112.673 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.48 3.52 2.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.369 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.18 -141.93 3.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.773 -1.204 . . . . 0.0 113.021 -167.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -176.45 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.506 . . . . 0.0 111.039 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.26 142.51 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.161 0.505 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.789 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 12.87 3.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.834 0.826 . . . . 0.0 109.553 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -127.98 145.78 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.689 -1.142 . . . . 0.0 109.76 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 563' ' ' PHE . 30.3 t80 -55.7 -49.94 89.88 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.993 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.616 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 32.8 Cg_endo -64.0 -15.99 52.33 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.176 1.918 . . . . 0.0 112.289 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -86.05 -26.95 25.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.215 0.531 . . . . 0.0 111.003 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.577 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 50.5 t -77.41 -46.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.756 HD12 ' CE1' ' A' ' 563' ' ' PHE . 6.0 mm -57.25 -33.0 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.022 0.439 . . . . 0.0 111.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.616 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.5 ptpt -74.4 -37.12 63.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.774 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.646 ' HE2' ' CE1' ' A' ' 569' ' ' TYR . 47.1 t80 -64.47 -40.82 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.5 mt -66.8 -35.21 79.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.325 0.583 . . . . 0.0 110.08 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 44.9 m -73.5 -44.07 58.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.415 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -81.02 -41.12 23.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.814 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 573' ' ' ASN . 0.9 OUTLIER -97.22 177.36 5.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.94 118.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.863 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.9 129.17 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.582 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -125.33 -26.06 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 38.4 m -78.25 -39.11 41.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.127 0.489 . . . . 0.0 111.699 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.77 139.75 47.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.932 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -112.93 175.2 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.435 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.5 -32.4 39.94 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.12 -28.53 67.94 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.4 m80 -75.77 -11.53 60.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.646 . . . . 0.0 110.866 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 0.568 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 57.7 m-85 -106.35 125.97 51.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.373 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 38.2 t -135.43 133.23 38.41 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.54 -2.85 24.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.877 0.37 . . . . 0.0 111.477 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.4 m -61.15 116.82 21.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.047 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.96 9.93 2.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.973 2.449 . . . . 0.0 112.182 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 81.7 mtp180 -97.41 0.87 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 52.7 tpp -97.15 101.77 10.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.253 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 72.1 Cg_endo -80.51 74.51 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.597 2.198 . . . . 0.0 112.144 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 525' ' ' VAL . 75.3 t -109.74 -72.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.84 -98.16 0.67 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 119.551 -1.309 . . . . 0.0 112.721 -171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -125.82 140.12 52.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.473 0.654 . . . . 0.0 111.137 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.665 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 13.9 m-85 -121.83 131.97 54.34 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.212 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.672 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 18.1 m-85 -129.36 152.89 48.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -130.13 125.25 34.62 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.81 120.81 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -133.74 158.09 44.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.122 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -100.73 133.35 45.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.529 0.681 . . . . 0.0 110.821 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.553 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.3 p -128.13 164.73 35.4 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.146 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 28.0 Cg_endo -62.69 -12.6 29.38 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.585 2.19 . . . . 0.0 112.93 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.553 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.52 -17.43 19.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 173.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.44 -163.31 25.45 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 119.898 -1.144 . . . . 0.0 113.869 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 62.4 mt -87.5 117.49 26.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.333 0.587 . . . . 0.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -135.3 153.34 51.91 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.365 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . 0.426 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 59.6 m95 -87.43 110.64 20.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.5 127.33 44.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.279 0.561 . . . . 0.0 110.437 -176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.12 135.12 44.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.944 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 41.7 mt -95.56 143.62 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.4 ' O ' HG13 ' A' ' 614' ' ' ILE . 13.6 m -78.12 164.32 25.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.76 48.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.82 -23.81 44.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.98 -31.55 39.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 110.355 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 618' ' ' ILE . 50.8 mt -47.73 -58.66 7.14 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.027 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.649 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.5 Cg_endo -60.89 -30.12 89.43 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.588 2.192 . . . . 0.0 112.73 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 40.3 t -65.17 -40.88 94.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.22 0.533 . . . . 0.0 109.851 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -71.63 -38.21 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.454 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 614' ' ' ILE . 59.2 mt -56.57 -38.0 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.94 176.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -62.13 -34.9 77.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.622 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.81 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.089 0.471 . . . . 0.0 110.842 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.02 -177.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.73 0 CA-C-O 121.29 0.567 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -98.42 149.23 35.53 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.254 174.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.56 -40.59 78.47 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.5 -39.6 84.36 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.718 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 24.1 mm-40 -72.72 -31.18 64.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 111.228 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 521' ' ' THR . 65.7 t -73.53 -31.15 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.296 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.543 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.8 ptp180 -81.54 -15.0 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.17 -0.332 . . . . 0.0 111.344 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.07 -52.93 43.42 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.699 0.4 . . . . 0.0 111.6 177.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.3 Cg_endo -61.49 -30.37 86.46 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.299 1.999 . . . . 0.0 112.559 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 62.9 mt -65.74 -27.15 68.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.47 . . . . 0.0 110.04 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 44.4 mt-30 -77.61 -23.6 49.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.452 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -96.83 -25.35 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.49 -25.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 119.765 -1.207 . . . . 0.0 113.138 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 57.5 m95 -64.33 158.22 24.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.667 0.233 . . . . 0.0 110.541 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -130.74 159.39 37.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.636 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.2 ttt180 -148.67 119.56 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.377 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -116.15 143.25 45.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.984 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 54.2 t -117.09 119.91 63.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.139 0.495 . . . . 0.0 109.8 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -103.25 118.47 36.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.997 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.35 123.13 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.445 0.64 . . . . 0.0 110.492 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.06 149.44 50.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.062 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.409 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.7 tptm -77.25 129.24 35.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 173.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -105.28 169.24 16.22 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.802 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -69.74 -24.21 63.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.918 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -95.18 -57.86 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.521 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -154.01 -169.28 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 111.173 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.409 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.0 m95 -84.62 125.14 32.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.502 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -127.42 160.81 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.503 0.668 . . . . 0.0 111.832 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.79 151.16 23.37 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.531 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.23 147.94 44.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.328 0.585 . . . . 0.0 110.429 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 57.2 m -107.63 125.94 51.96 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 -177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -109.72 148.12 31.97 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.53 0.681 . . . . 0.0 110.336 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.619 ' HE1' ' CE2' ' A' ' 552' ' ' TYR . 13.4 m-85 -129.7 150.78 50.87 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.396 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 17.2 m-85 -134.48 131.63 38.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.26 46.79 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.67 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.06 -29.37 54.87 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.073 2.515 . . . . 0.0 112.316 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 5.5 p -143.86 -24.27 0.56 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -79.73 -152.21 7.23 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.912 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.468 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.74 -177.72 2.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.323 -0.438 . . . . 0.0 111.142 -176.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 139.08 51.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.177 0.513 . . . . 0.0 110.546 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.468 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.7 mpp? -126.44 147.17 49.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.572 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 8.76 3.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.68 0.752 . . . . 0.0 109.629 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.504 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.0 mm100 -119.2 144.74 46.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.493 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.701 ' CE1' HD12 ' A' ' 567' ' ' ILE . 24.5 t80 -59.16 -49.88 90.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.56 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.4 Cg_endo -63.4 -13.95 39.23 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.245 1.963 . . . . 0.0 112.474 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.504 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 14.6 mm-40 -89.42 -25.38 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.27 0.557 . . . . 0.0 110.846 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 43.6 t -77.74 -44.94 28.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.496 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.701 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -56.87 -32.23 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.547 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 568' ' ' LYS . 1.0 OUTLIER -73.75 -38.3 64.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.039 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.96 -42.86 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.6 mt -68.5 -39.32 81.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.407 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.9 m -72.88 -38.0 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.893 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 76.8 mtp180 -75.9 -24.73 55.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.954 0.407 . . . . 0.0 111.079 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -117.37 -168.72 1.53 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.096 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 56.5 t -119.28 117.2 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 32.9 t -138.86 119.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -111.07 -33.68 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 49.7 m -68.36 -41.13 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.958 0.409 . . . . 0.0 111.096 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 528' ' ' PRO . 11.6 m -121.61 136.01 59.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.371 0.605 . . . . 0.0 112.143 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.02 175.66 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -31.89 55.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 41.6 m80 -74.2 -11.21 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.508 0.67 . . . . 0.0 110.688 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.644 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 40.4 m-85 -108.76 124.27 50.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.252 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.8 m -135.71 132.51 36.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.2 m-85 -101.75 -4.02 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.4 116.78 21.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.13 10.75 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.001 2.467 . . . . 0.0 112.745 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 70.6 mtt180 -96.06 -1.48 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 57.2 tpp -95.18 104.83 16.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.169 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 83.9 Cg_endo -82.18 67.47 8.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 123.123 2.549 . . . . 0.0 112.758 -176.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 526' ' ' ARG . 74.5 t -104.81 -70.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.94 -99.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.474 -1.346 . . . . 0.0 112.483 -173.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -123.71 141.82 51.65 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.301 0.572 . . . . 0.0 110.867 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.666 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 12.1 m-85 -121.99 132.27 54.44 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.122 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.656 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 19.3 m-85 -130.39 155.17 46.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.975 0.417 . . . . 0.0 110.512 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -132.14 127.31 35.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.999 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -74.29 122.39 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -134.99 157.16 47.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.33 139.37 36.09 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.328 0.585 . . . . 0.0 110.777 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 24.2 p -133.35 164.84 41.13 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.442 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 18.8 Cg_endo -59.77 -13.9 24.38 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.918 2.412 . . . . 0.0 112.76 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.595 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.78 -19.14 18.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.842 0.353 . . . . 0.0 110.45 174.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.97 -165.46 25.38 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 119.878 -1.153 . . . . 0.0 113.719 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.83 118.32 23.33 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.575 0.702 . . . . 0.0 110.32 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.456 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.2 pt20 -134.25 148.46 50.83 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.682 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -88.5 110.17 20.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.99 126.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.0 110.604 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -73.31 134.53 44.2 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.829 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.7 mt -94.59 142.28 27.63 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.2 m -82.73 164.88 20.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.14 -32.73 36.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.63 -34.28 73.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.744 0.307 . . . . 0.0 111.296 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.0 -26.99 33.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.691 0.281 . . . . 0.0 111.164 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 618' ' ' ILE . 28.2 mt -46.88 -58.59 6.68 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.526 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.0 Cg_endo -60.56 -33.74 93.34 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.545 2.163 . . . . 0.0 112.562 -175.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.3 m -63.51 -40.33 96.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.09 -39.5 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 614' ' ' ILE . 54.5 mt -56.66 -40.9 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.82 -32.91 71.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.6 25.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.156 0.503 . . . . 0.0 110.781 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 36.5 pt . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.628 0.727 . . . . 0.0 110.124 176.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.634 0.254 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.471 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.12 141.61 22.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.23 173.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -51.96 -43.38 52.59 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.31 -42.36 73.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.421 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.95 -31.51 64.63 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.449 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.509 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 96.9 t -69.47 -30.08 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.341 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.35 -14.68 52.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.642 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -49.35 86.35 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.5 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.509 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 35.1 Cg_exo -58.41 -35.89 98.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.179 1.92 . . . . 0.0 112.187 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.4 mt -65.57 -21.53 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.686 -177.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 40.4 mt-30 -84.13 -20.44 32.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.51 -21.83 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 148.17 -25.49 1.41 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.915 -1.136 . . . . 0.0 112.703 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.46 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 65.6 m95 -61.97 157.21 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -129.62 160.97 31.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.696 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 6.7 ttt180 -143.84 118.29 9.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.062 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -116.19 137.42 52.15 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.54 121.09 66.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.105 0.478 . . . . 0.0 109.81 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . 0.521 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.67 118.35 36.35 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.231 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.0 mt -111.31 123.39 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.349 0.595 . . . . 0.0 110.153 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -130.03 144.41 51.32 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.967 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -81.65 126.83 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.409 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.59 168.03 19.28 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.115 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.8 t -72.16 -16.47 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.2 -49.36 3.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -151.91 177.4 10.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.504 0.669 . . . . 0.0 111.829 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 46.8 m95 -85.15 124.84 32.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.397 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.38 164.27 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.561 0.696 . . . . 0.0 111.327 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.27 22.98 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.604 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.44 148.29 44.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.767 0.794 . . . . 0.0 110.772 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 80.0 m -106.87 125.91 51.62 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.167 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.472 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 9.5 m95 -110.44 148.09 32.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.388 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.611 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 14.7 m-85 -133.6 154.09 51.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.233 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.68 133.47 38.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -62.52 141.46 46.97 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.259 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.2 -29.15 55.31 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.13 2.553 . . . . 0.0 112.593 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.41 -24.89 0.59 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.843 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -80.05 -147.24 4.54 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.817 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.558 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -81.96 -177.47 6.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.207 0.527 . . . . 0.0 112.05 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.472 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 39.2 ttp180 -109.71 133.39 53.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.709 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.558 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.4 mpp? -126.9 144.92 50.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.227 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -138.32 11.98 2.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.815 0.817 . . . . 0.0 109.791 177.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.443 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.2 mm100 -118.46 145.52 45.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.219 175.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.73 ' CE1' HD12 ' A' ' 567' ' ' ILE . 12.2 t80 -57.75 -50.23 89.32 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.458 178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.566 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 43.0 Cg_endo -65.6 -11.89 32.58 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.452 2.101 . . . . 0.0 112.597 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 59.0 mm-40 -88.05 -27.12 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.257 0.551 . . . . 0.0 111.133 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.3 t -77.93 -43.05 28.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.73 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -58.88 -32.43 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.19 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.566 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.84 -37.23 62.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.157 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.43 -43.51 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -63.11 -43.11 99.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 53.0 m -73.46 -39.17 65.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.25 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.88 -16.36 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.706 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -123.33 -173.22 2.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.93 118.19 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 110.45 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.7 t -137.98 138.18 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -129.4 -25.87 2.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 13.4 p -91.73 -40.99 10.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.174 0.511 . . . . 0.0 112.241 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.1 138.18 47.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -112.2 172.6 6.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.402 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -54.94 -31.93 60.85 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.189 0.45 . . . . 0.0 112.192 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.82 -23.12 67.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -77.28 -12.65 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 583' ' ' PHE . 56.3 m-85 -107.47 124.42 49.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.057 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 47.1 t -130.95 132.62 45.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.0 m-85 -103.6 -3.23 25.47 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.363 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 588' ' ' ARG . 19.2 m -61.45 113.99 9.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.657 171.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.65 10.6 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.652 2.235 . . . . 0.0 111.414 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.415 ' HG2' HG21 ' A' ' 618' ' ' ILE . 48.3 mtt180 -100.82 2.55 41.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.408 ' HG2' HG22 ' A' ' 525' ' ' VAL . 49.6 tpp -94.97 107.86 34.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.781 173.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.01 58.08 6.01 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.003 2.469 . . . . 0.0 112.76 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 42.9 t -137.13 140.92 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 101.8 -135.23 12.1 Favored Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -120.43 132.31 55.18 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.867 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.665 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 23.3 m-85 -128.43 154.91 45.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.704 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.27 123.91 31.18 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.56 120.31 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -134.08 157.46 46.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.509 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.76 133.14 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.88 0.848 . . . . 0.0 111.095 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.1 p -126.34 164.84 31.5 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 22.4 Cg_endo -61.89 -12.83 27.56 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 122.395 2.063 . . . . 0.0 112.628 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.506 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.3 pt-20 -98.75 -15.25 19.39 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.57 175.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.13 -163.9 24.82 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.682 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.99 122.72 29.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.368 0.604 . . . . 0.0 110.497 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.479 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.7 pt20 -138.03 151.44 47.88 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.638 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.8 m95 -88.5 110.16 20.63 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.3 t -92.79 125.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.05 0.452 . . . . 0.0 110.073 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -74.38 135.46 42.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.063 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.1 144.25 27.14 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 614' ' ' ILE . 47.0 m -81.69 167.68 18.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -55.47 -31.46 62.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.094 0.247 . . . . 0.0 111.552 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -78.07 -25.35 47.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -82.18 -29.61 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.304 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.522 ' O ' HG13 ' A' ' 618' ' ' ILE . 38.9 mt -47.4 -58.78 6.64 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.074 -0.967 . . . . 0.0 112.978 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.608 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.4 Cg_endo -61.38 -31.74 88.77 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.552 2.168 . . . . 0.0 112.773 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.4 m -64.99 -40.69 95.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.5 -38.98 71.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.443 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.8 mt -56.75 -43.52 79.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.933 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.5 mm-40 -55.07 -33.97 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.79 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.976 0.417 . . . . 0.0 110.805 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.457 0.646 . . . . 0.0 110.64 -179.695 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.621 0.248 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.517 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.82 144.69 29.02 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.49 174.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.05 -42.92 62.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.751 2.301 . . . . 0.0 112.308 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.14 -41.7 72.1 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.1 mm-40 -72.98 -32.14 64.98 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.415 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.542 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 67.3 t -71.25 -31.54 44.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.605 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 ptm180 -80.77 -15.38 56.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.146 174.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.435 HD23 ' NE2' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -50.1 -49.61 74.41 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 122.426 0.29 . . . . 0.0 111.454 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.542 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 45.6 Cg_exo -57.35 -36.9 98.9 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.335 2.023 . . . . 0.0 112.26 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.34 -23.98 64.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 61.7 mt-30 -76.71 -25.16 53.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.721 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -94.66 -99.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.918 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.47 -20.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.492 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -70.73 160.38 32.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.437 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -129.83 159.73 35.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.684 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 4.6 ttt180 -145.46 119.79 9.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.268 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.04 116.16 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -107.19 118.82 37.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.349 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 24.3 mt -110.61 124.24 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.0 110.447 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -129.33 142.82 50.72 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.562 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -70.32 126.16 28.86 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.99 165.31 25.4 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.1 m -71.11 -20.08 62.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.903 0.383 . . . . 0.0 110.524 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.88 -47.15 3.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -152.55 -173.36 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -83.84 125.06 31.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.549 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -128.54 155.77 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 0.0 112.008 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -145.45 151.87 24.01 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.107 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -140.73 148.88 41.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.845 0.831 . . . . 0.0 111.192 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.4 m -106.03 125.66 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.17 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -109.18 147.19 32.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.565 0.698 . . . . 0.0 110.566 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 0.684 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.7 m-85 -130.64 152.98 49.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.203 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.631 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 50.7 m-85 -134.28 130.79 37.6 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.92 134.39 25.47 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.648 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.99 -11.08 27.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.937 2.425 . . . . 0.0 112.811 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 9.2 p -137.28 6.79 2.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.181 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.19 -141.25 3.15 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.115 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -81.03 -177.21 6.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.846 -0.677 . . . . 0.0 111.165 -175.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.31 135.8 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.401 0.62 . . . . 0.0 110.344 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -124.94 145.87 49.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.465 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -138.36 10.79 2.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.657 0.742 . . . . 0.0 110.119 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -118.13 144.67 45.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.009 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.629 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 24.7 t80 -57.29 -49.96 90.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.596 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.586 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 34.5 Cg_endo -63.78 -14.93 45.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.341 2.027 . . . . 0.0 112.512 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.08 -27.32 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.233 0.54 . . . . 0.0 111.019 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.5 t -78.21 -45.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.728 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.5 mm -57.42 -33.19 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 121.048 0.451 . . . . 0.0 111.766 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.1 ptpt -74.5 -38.24 62.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.653 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.92 -40.8 95.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.977 0.417 . . . . 0.0 109.876 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.4 mt -68.0 -40.81 82.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 56.1 m -72.14 -40.63 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.888 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 79.0 mtp180 -72.77 -25.65 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.942 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -117.57 -162.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.18 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.1 t -124.18 117.75 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.0 110.338 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.26 111.0 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.82 -31.32 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.233 -172.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -70.24 -44.29 68.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.037 0.446 . . . . 0.0 111.258 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 528' ' ' PRO . 2.6 m -122.15 135.82 61.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.121 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.2 175.52 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.412 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -54.34 -31.94 55.6 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.483 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.53 -30.31 69.67 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 40.9 m80 -73.75 -11.61 60.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.294 0.568 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 583' ' ' PHE . 49.9 m-85 -106.75 126.33 52.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.363 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.8 t -135.47 134.65 39.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.613 ' HE1' ' CE2' ' A' ' 585' ' ' PHE . 53.2 m-85 -106.2 -5.12 19.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.7 m -63.95 120.22 61.96 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.764 0.316 . . . . 0.0 111.134 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.96 11.83 1.9 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.222 2.614 . . . . 0.0 112.187 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.26 2.72 34.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.454 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 58.8 tpp -97.34 102.82 13.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.669 172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 72.6 Cg_endo -79.44 72.49 6.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.875 2.383 . . . . 0.0 112.596 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.492 HG11 ' HB3' ' A' ' 526' ' ' ARG . 78.6 t -107.6 -72.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.65 -105.94 0.91 Allowed Glycine 0 CA--C 1.502 -0.721 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.868 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -113.61 137.81 51.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-O 121.203 0.525 . . . . 0.0 110.235 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -119.7 131.87 55.52 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -127.78 153.09 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -131.04 120.21 23.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.99 124.41 26.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -133.98 157.83 45.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -173.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.15 143.42 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 0.0 110.779 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.561 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 16.4 p -135.38 165.05 39.29 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.361 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.1 Cg_endo -61.7 -11.4 20.4 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.715 2.277 . . . . 0.0 112.847 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.561 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.9 pt-20 -102.11 -16.05 16.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.258 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 140.39 -170.76 24.27 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.386 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.2 mt -81.85 124.81 30.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.464 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.9 pt20 -139.38 150.5 45.38 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.377 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -88.23 111.29 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.31 124.21 44.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.201 0.524 . . . . 0.0 110.684 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -74.25 134.81 42.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 20.1 mt -97.76 145.17 26.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.967 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 166.88 15.86 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.29 54.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.63 -29.12 62.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.92 -29.27 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . . . . . . . . . 29.3 mt -46.52 -58.39 6.81 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.479 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.0 Cg_endo -61.3 -33.6 89.22 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.425 2.084 . . . . 0.0 112.555 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.07 -32.42 72.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.239 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -72.95 -45.28 58.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.965 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 53.9 mt -57.33 -39.44 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.161 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -56.97 -34.64 68.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.72 51.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.706 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 28.4 pt . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.959 0.885 . . . . 0.0 110.181 179.242 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 120.655 0.264 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.51 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -102.19 142.93 25.58 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.206 175.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.76 -43.97 51.65 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.111 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.38 -41.74 76.72 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.923 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.6 mm-40 -72.84 -32.5 65.52 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.424 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.56 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 97.7 t -67.76 -30.81 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.447 ' HB3' ' CG1' ' A' ' 591' ' ' VAL . 9.1 ptm180 -81.97 -15.68 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.711 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -52.91 -50.77 79.76 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.535 179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.56 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.7 Cg_exo -59.1 -35.49 97.94 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.245 1.964 . . . . 0.0 112.096 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.8 mt -64.01 -24.2 67.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.616 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -84.56 -21.28 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -96.59 -23.38 16.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 147.73 -25.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.622 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.614 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 67.6 m95 -62.0 152.63 31.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.242 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -131.52 158.18 41.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.506 ' CZ ' HG21 ' A' ' 537' ' ' VAL . 0.0 OUTLIER -143.52 120.22 11.16 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.468 178.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -114.73 137.81 51.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 535' ' ' ARG . 78.0 t -116.44 120.85 66.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.774 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.49 119.39 38.79 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.837 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.71 122.99 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 121.3 0.572 . . . . 0.0 110.405 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -127.21 144.7 50.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 542' ' ' GLY . 21.9 tptm -76.71 126.64 31.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.128 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.428 ' O ' ' HE2' ' A' ' 541' ' ' LYS . . . -97.66 165.59 22.36 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.236 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.2 t -71.62 -16.31 62.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.079 0.466 . . . . 0.0 110.3 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -109.48 -46.03 3.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -152.74 -177.99 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.52 0.676 . . . . 0.0 111.851 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.422 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 54.1 m95 -89.25 124.56 34.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.844 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -130.67 164.2 25.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.73 0.776 . . . . 0.0 111.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.71 152.03 23.85 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.588 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.94 148.95 45.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.522 0.677 . . . . 0.0 110.669 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 97.2 m -107.74 125.88 51.94 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . 0.475 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 8.8 m0 -109.98 149.3 30.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.637 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.638 ' HD2' ' CD1' ' A' ' 552' ' ' TYR . 15.9 m-85 -132.79 155.92 48.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.902 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -134.9 133.2 39.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.542 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.92 130.31 19.57 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 173.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . 0.403 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 52.9 Cg_endo -69.11 -15.48 39.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.629 2.219 . . . . 0.0 112.122 -175.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 57.9 m -129.34 5.6 5.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.81 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -144.51 3.94 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.495 -169.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.407 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.4 OUTLIER -80.08 -176.53 5.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.953 -0.624 . . . . 0.0 112.464 -173.309 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.475 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 36.1 ttp180 -106.09 133.09 51.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.451 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.449 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -124.37 143.58 50.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 11.88 2.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.889 0.852 . . . . 0.0 109.525 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.451 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.7 mm100 -118.84 145.57 45.56 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.069 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.744 ' CE1' HD12 ' A' ' 567' ' ' ILE . 14.6 t80 -57.27 -49.08 95.97 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.403 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 31.8 Cg_endo -63.08 -15.62 49.12 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.555 2.17 . . . . 0.0 112.882 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.451 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 56.7 mt-10 -83.4 -28.85 28.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.351 0.596 . . . . 0.0 110.856 177.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.615 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 63.1 t -78.84 -44.46 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.581 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.744 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -59.15 -32.86 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.149 0.5 . . . . 0.0 111.304 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.499 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.5 ptpt -74.59 -37.06 63.0 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.862 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -66.7 -40.6 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 33.9 mt -67.45 -37.69 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.2 t -74.19 -44.39 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.933 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -75.45 -34.24 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.817 -175.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' ' 573' ' ' ASN . 0.8 OUTLIER -102.81 176.95 4.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.211 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.32 117.22 41.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 34.2 t -137.82 104.64 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -104.39 -13.33 16.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.712 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 10.5 p -94.02 -44.78 7.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.273 0.559 . . . . 0.0 111.723 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.54 141.22 39.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.849 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -113.28 173.59 6.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.458 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.441 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.9 -32.15 52.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.12 -23.91 66.83 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -77.79 -12.68 60.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.208 0.528 . . . . 0.0 110.805 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.64 ' HE2' ' CE1' ' A' ' 583' ' ' PHE . 54.7 m-85 -108.41 124.84 51.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.43 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.3 p -135.28 133.03 38.48 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.443 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 63.4 m-85 -101.22 -0.66 35.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.112 0.482 . . . . 0.0 111.133 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.6 m -61.52 113.8 9.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.94 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.78 10.25 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.584 2.189 . . . . 0.0 112.32 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -93.17 -1.42 56.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 109.747 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 50.9 tpp -91.95 109.52 37.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.629 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.93 52.49 4.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.184 2.59 . . . . 0.0 112.323 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 526' ' ' ARG . 25.7 t -140.03 119.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 110.53 -154.15 16.74 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -166.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.52 138.39 50.2 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.299 0.571 . . . . 0.0 111.171 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.668 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 13.3 m-85 -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.254 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.39 152.42 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.458 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.38 126.87 28.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.529 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 606' ' ' TRP . 36.1 tt0 -75.1 121.0 21.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.351 0.595 . . . . 0.0 109.59 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -130.74 159.3 37.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.327 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -94.41 134.84 36.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.54 0.686 . . . . 0.0 111.177 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.6 p -128.82 164.21 40.12 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.1 Cg_endo -60.14 -15.33 33.52 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.664 2.242 . . . . 0.0 112.613 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.421 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 8.6 pt-20 -99.14 -11.16 21.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.864 0.364 . . . . 0.0 110.794 176.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 131.91 -161.96 23.82 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.867 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.24 122.41 30.19 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.562 0.696 . . . . 0.0 110.728 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -138.94 153.45 48.22 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.532 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 597' ' ' GLU . 53.5 m95 -91.01 110.47 21.73 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 24.3 t -93.56 130.16 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.002 0.43 . . . . 0.0 110.091 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -73.34 135.55 44.34 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.719 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 24.8 mt -96.2 143.31 27.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 614' ' ' ILE . 37.8 m -84.67 165.5 17.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.443 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.83 -31.73 50.36 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.58 -36.12 78.29 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.486 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.17 -29.47 38.75 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.496 ' O ' HG13 ' A' ' 618' ' ' ILE . 32.7 mt -46.48 -58.78 6.03 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.33 -177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.612 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 24.9 Cg_endo -62.29 -31.54 81.91 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.371 2.047 . . . . 0.0 112.814 -175.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 t -66.87 -37.58 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.135 0.493 . . . . 0.0 109.714 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.425 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.3 mpt_? -71.94 -39.87 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.334 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 614' ' ' ILE . 64.7 mt -57.17 -38.99 64.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.907 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.96 -33.84 75.03 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.15 34.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 617' ' ' ARG . 40.0 pt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.541 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.526 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -102.38 144.58 28.9 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.972 173.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.3 -42.77 62.76 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.791 2.327 . . . . 0.0 112.225 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -58.52 -39.98 81.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.704 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -72.12 -30.68 65.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.574 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 67.4 t -74.84 -31.3 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.911 0.386 . . . . 0.0 111.198 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.594 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.8 ptm85 -80.74 -15.11 57.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.937 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.8 -49.88 77.04 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 122.58 0.352 . . . . 0.0 111.324 177.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 51.2 Cg_exo -57.08 -37.19 98.92 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.419 2.08 . . . . 0.0 112.188 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 57.5 mt -64.97 -27.17 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 50.3 mt-30 -77.49 -22.05 51.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.653 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -101.13 -24.15 14.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.83 -27.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.979 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.538 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.0 m95 -63.2 157.88 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.731 0.301 . . . . 0.0 110.286 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -131.88 159.43 38.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.63 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.65 119.29 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.675 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -115.18 141.5 47.94 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.353 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.13 119.62 62.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.153 0.501 . . . . 0.0 109.787 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -104.46 118.36 36.41 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.271 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 44.7 mt -113.97 122.78 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.445 0.641 . . . . 0.0 110.647 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -127.74 147.73 50.41 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.49 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.7 tptm -82.06 126.51 32.08 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.96 168.83 22.55 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.821 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.5 m -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -108.15 -59.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.96 -179.87 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.454 0.645 . . . . 0.0 112.085 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.49 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.3 m95 -87.23 124.18 33.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.525 174.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.24 163.55 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.363 0.601 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.75 151.67 23.55 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -139.04 148.17 43.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.308 0.575 . . . . 0.0 110.619 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 58.5 m -108.35 126.05 52.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.072 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -109.91 148.91 30.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.556 0.693 . . . . 0.0 110.617 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.64 ' HE1' ' CE2' ' A' ' 552' ' ' TYR . 16.4 m-85 -131.26 153.07 49.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.454 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -136.17 130.71 33.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.22 135.36 27.55 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.237 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.33 -13.04 27.95 Favored 'Trans proline' 0 CA--C 1.527 0.132 0 C-N-CA 122.895 2.397 . . . . 0.0 112.529 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 36.7 m -135.83 6.15 3.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.952 -175.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.73 -147.11 4.74 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 119.606 -1.283 . . . . 0.0 113.241 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -178.0 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.155 -0.522 . . . . 0.0 111.663 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -118.9 142.68 47.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.565 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -130.1 150.84 51.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.976 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 10.96 2.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.619 0.723 . . . . 0.0 109.811 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.4 mm100 -117.29 145.22 44.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.198 174.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 567' ' ' ILE . 16.1 t80 -59.96 -49.15 92.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.629 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 36.0 Cg_endo -63.81 -12.61 32.54 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.421 2.081 . . . . 0.0 112.359 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 58.7 mm-40 -89.8 -25.59 21.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 0.0 110.921 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 46.3 t -78.08 -45.17 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.32 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.658 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.64 -32.68 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.189 0.519 . . . . 0.0 111.358 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.524 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.2 ptpm? -73.85 -36.61 64.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.17 -41.69 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.9 mt -67.74 -30.95 70.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.6 t -73.44 -43.64 59.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.931 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -71.38 -35.87 71.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.774 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -110.32 165.46 11.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.234 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.13 116.86 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 141.9 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -137.14 -34.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 111.203 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 32.7 m -68.79 -37.29 79.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.133 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 528' ' ' PRO . 6.6 m -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.401 0.619 . . . . 0.0 111.874 176.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -113.05 175.11 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.404 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -53.78 -32.23 51.74 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.57 -28.42 65.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 45.3 m80 -75.61 -11.93 60.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.252 0.548 . . . . 0.0 111.052 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.615 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 52.0 m-85 -109.2 125.61 52.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.534 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 76.4 p -136.27 140.62 43.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.613 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 64.4 m-85 -108.5 -1.69 19.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.83 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 25.8 m -61.62 118.68 40.21 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.39 11.37 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.64 2.227 . . . . 0.0 112.708 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.44 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 76.0 mtp180 -90.58 -4.92 56.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 47.8 tpp -94.31 105.23 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.739 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 86.9 Cg_endo -82.67 64.07 8.08 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 123.289 2.659 . . . . 0.0 112.966 -175.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.489 HG22 ' HB ' ' A' ' 525' ' ' VAL . 69.5 t -102.82 -69.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.05 -103.34 1.43 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.575 -1.298 . . . . 0.0 112.5 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -112.66 138.89 48.8 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.322 0.582 . . . . 0.0 111.036 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.658 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 11.5 m-85 -121.24 132.09 54.61 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.819 174.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -130.1 155.09 46.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.388 . . . . 0.0 110.517 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.2 127.61 38.27 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -74.12 124.77 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -135.19 157.26 47.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.5 137.41 37.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.811 0.815 . . . . 0.0 110.868 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.581 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.9 p -128.86 164.64 37.32 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.748 178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.4 Cg_endo -61.95 -11.27 20.62 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.537 2.158 . . . . 0.0 112.574 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.581 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.7 pt-20 -101.73 -13.91 17.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.933 0.397 . . . . 0.0 110.406 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.02 -163.09 24.83 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.484 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.4 125.71 33.2 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 110.997 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -139.36 151.54 46.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.968 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -86.95 111.36 20.75 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.7 125.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.253 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.11 135.87 42.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.099 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.49 142.09 27.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 18.6 m -79.81 165.96 22.21 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -55.73 -30.91 61.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.646 0.26 . . . . 0.0 111.403 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -73.99 -29.61 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.794 0.331 . . . . 0.0 111.151 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -81.89 -29.09 32.58 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.911 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 618' ' ' ILE . 32.2 mt -46.01 -58.42 6.37 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.196 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 25.5 Cg_endo -61.63 -29.63 84.37 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.515 2.143 . . . . 0.0 112.645 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 37.0 t -64.21 -40.69 96.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 109.912 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.412 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.1 mpt_? -73.55 -40.06 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.3 mt -57.21 -39.36 66.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 25.1 mm-40 -58.76 -35.28 72.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.86 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -80.6 -43.32 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 617' ' ' ARG . 45.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.119 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.103 0.478 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.519 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.51 144.49 28.76 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.19 173.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.33 -42.9 57.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.559 2.173 . . . . 0.0 112.305 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.15 -39.17 78.09 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 11.8 mm-40 -72.19 -34.02 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 521' ' ' THR . 68.9 t -69.8 -31.75 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.745 0.307 . . . . 0.0 111.464 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.0 ptm180 -80.04 -16.75 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.232 -0.292 . . . . 0.0 111.251 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.51 -53.67 43.27 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 178.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 23.1 Cg_endo -63.34 -27.84 71.64 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.209 1.939 . . . . 0.0 112.185 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 25.8 mt -66.35 -19.66 65.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.0 110.146 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 30.1 mt-30 -87.27 -12.0 47.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.14 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -122.89 56.32 1.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 83.83 -42.59 3.07 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.186 -1.007 . . . . 0.0 114.005 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.547 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 77.2 m95 -60.38 152.31 25.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.518 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.33 160.11 34.06 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.692 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.3 ttt180 -144.13 118.7 9.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.696 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.12 136.27 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.899 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.15 125.9 73.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.053 0.454 . . . . 0.0 110.914 -173.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.12 122.61 46.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.458 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.81 124.39 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.291 0.567 . . . . 0.0 110.83 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -131.04 146.33 52.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.242 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.411 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.0 tptm -77.97 130.3 36.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.256 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -106.84 169.01 14.72 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.772 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -72.07 -20.75 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -102.95 -50.25 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.648 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -153.3 -177.4 6.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.611 . . . . 0.0 111.199 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.411 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 55.4 m95 -85.11 125.07 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.415 173.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -125.78 157.66 36.92 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.656 0.741 . . . . 0.0 111.505 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.24 151.1 23.12 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.542 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -141.21 149.39 41.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.934 0.873 . . . . 0.0 111.128 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.482 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -106.22 126.67 52.51 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.817 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -108.14 147.54 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.829 0.823 . . . . 0.0 110.563 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 0.692 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -131.21 153.47 49.43 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.864 -1.516 . . . . 0.0 110.18 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -135.19 129.27 33.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.8 129.96 16.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.46 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.64 -17.54 48.02 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.711 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 63.0 m -128.47 5.6 5.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.426 -175.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.09 -141.98 3.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.391 -169.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -177.13 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.018 -0.591 . . . . 0.0 111.759 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.476 ' NE ' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -120.7 140.38 51.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 175.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.25 149.03 50.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.768 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.507 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.63 9.24 2.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.645 0.736 . . . . 0.0 109.685 174.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -119.82 145.36 46.7 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.575 176.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.752 ' CE1' HD12 ' A' ' 567' ' ' ILE . 18.7 t80 -57.66 -49.89 91.2 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.966 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.547 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 42.3 Cg_endo -66.25 -13.73 41.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.024 1.816 . . . . 0.0 112.336 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -85.16 -27.06 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.331 0.586 . . . . 0.0 110.548 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.578 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 47.2 t -78.64 -46.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.626 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.752 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -58.82 -32.82 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.547 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.4 ptpt -74.15 -37.02 64.15 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.567 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.613 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 47.8 t80 -62.49 -41.78 99.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.3 mt -68.34 -32.29 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.117 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 37.0 m -74.11 -44.25 54.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.263 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.4 mtp180 -75.54 -32.27 60.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.359 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -111.54 178.99 4.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.831 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.13 117.79 55.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.797 0.332 . . . . 0.0 110.214 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 35.4 t -141.23 110.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -111.63 -11.77 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 31.5 p -80.21 -44.55 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 0.0 110.704 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.9 m -121.88 141.88 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.728 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 24.3 mmt180 -112.64 173.14 6.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.529 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.445 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.15 -32.28 54.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.0 pt-20 -61.01 -26.36 67.55 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.543 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.0 m80 -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.318 0.58 . . . . 0.0 110.735 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 0.46 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 36.1 m-85 -108.03 127.63 53.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.486 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 74.6 p -136.39 137.89 41.0 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 57.2 m-85 -106.88 -2.82 20.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.669 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 62.8 m -62.08 118.03 35.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.5 13.31 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.454 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.437 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 17.6 mtm180 -98.37 -0.64 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.463 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.6 tpp -94.82 104.12 13.6 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.987 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 85.5 Cg_endo -82.22 67.54 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.987 2.458 . . . . 0.0 112.576 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.47 HG22 ' HB ' ' A' ' 525' ' ' VAL . 84.5 t -104.98 -68.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.74 -108.63 1.8 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.523 -1.322 . . . . 0.0 112.509 -173.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.8 138.88 46.64 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.59 0.709 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.662 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 16.1 m-85 -122.25 132.49 54.45 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.373 177.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.666 ' HD2' ' CD1' ' A' ' 595' ' ' PHE . 27.6 m-85 -127.13 155.05 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . 0.409 ' HB2' HD12 ' A' ' 609' ' ' LEU . 4.7 tp10 -134.08 123.89 25.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.763 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.74 124.93 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -134.49 157.55 46.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.933 -174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.59 137.23 37.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 0.0 111.358 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.542 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.9 p -131.94 164.23 44.48 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.128 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.5 Cg_endo -62.32 -10.83 19.9 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.631 2.221 . . . . 0.0 112.677 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.542 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.1 pt-20 -101.85 -14.82 17.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.007 0.432 . . . . 0.0 110.211 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.38 -169.84 24.12 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.012 -1.09 . . . . 0.0 113.854 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.3 mt -82.33 122.49 28.03 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.314 0.578 . . . . 0.0 110.043 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.449 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.7 pt20 -138.06 150.46 46.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.847 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -88.72 111.73 22.32 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.79 126.68 45.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.328 0.585 . . . . 0.0 110.514 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -73.31 134.7 44.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.958 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 596' ' ' GLU . 26.7 mt -98.2 145.73 26.32 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -175.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 614' ' ' ILE . 3.8 m -81.36 166.55 20.35 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.71 -35.78 56.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.195 0.309 . . . . 0.0 111.654 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -78.68 -24.33 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.751 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.86 -28.64 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 618' ' ' ILE . 44.2 mt -46.64 -58.45 6.8 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.947 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.566 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.5 Cg_endo -62.16 -29.88 81.34 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.362 2.042 . . . . 0.0 112.83 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 22.5 t -69.56 -34.22 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.338 0.59 . . . . 0.0 109.663 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.63 -42.39 64.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.542 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 614' ' ' ILE . 66.9 mt -56.97 -39.79 68.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.047 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.7 mm-40 -57.85 -35.42 70.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.73 44.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.951 0.405 . . . . 0.0 111.196 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.542 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 120.749 0.309 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.535 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.06 144.66 29.08 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 176.433 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -42.89 60.2 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.212 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.69 -42.15 78.58 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 23.0 mm-40 -73.1 -33.6 65.69 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.613 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 521' ' ' THR . 58.5 t -70.99 -34.29 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.052 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.539 ' HB3' HG11 ' A' ' 591' ' ' VAL . 11.6 ptm180 -78.89 -15.28 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.228 -0.295 . . . . 0.0 111.266 176.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.71 -54.8 32.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 122.801 0.44 . . . . 0.0 111.856 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.3 Cg_endo -60.34 -26.68 83.25 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.322 2.015 . . . . 0.0 112.363 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 37.4 mt -68.8 -20.28 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -92.49 -7.46 47.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.337 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.39 -29.88 10.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.33 -24.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.788 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 42.4 m95 -69.29 162.7 26.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.757 0.313 . . . . 0.0 110.614 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.411 ' HA ' HD23 ' A' ' 529' ' ' LEU . 79.2 ttt180 -137.36 161.37 36.47 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 172.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 5.0 ttt180 -144.42 119.56 10.11 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.525 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -116.55 141.69 47.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.497 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.13 120.55 64.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.257 0.551 . . . . 0.0 109.929 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -105.05 119.78 39.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.097 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.9 mt -113.48 123.34 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.56 0.695 . . . . 0.0 110.675 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -130.5 146.55 52.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.222 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.5 tptm -76.32 124.61 27.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.13 168.3 23.23 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.525 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.6 m -66.94 -29.52 69.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.592 . . . . 0.0 110.217 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -98.0 -59.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.248 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -140.28 -178.47 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 111.396 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.423 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 30.0 m95 -83.77 124.35 30.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.074 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.12 154.57 44.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.672 0.748 . . . . 0.0 112.043 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.4 150.27 22.51 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.652 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -136.38 148.06 47.64 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.51 0.671 . . . . 0.0 110.281 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 70.5 m -107.98 126.45 52.73 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.601 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -107.65 147.57 30.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.983 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 552' ' ' TYR . 0.6 OUTLIER -132.99 149.2 52.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.086 177.138 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.6 133.08 43.21 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.552 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.68 136.99 29.95 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -51.18 -30.16 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 123.173 2.582 . . . . 0.0 113.583 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.22 -25.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.274 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -83.41 -150.49 10.03 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.896 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -177.95 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 141.5 50.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.386 0.612 . . . . 0.0 110.664 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.437 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -123.36 144.84 49.2 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.685 -176.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -122.23 -3.61 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -115.67 144.92 43.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.388 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.67 ' CE1' HD12 ' A' ' 567' ' ' ILE . 13.5 t80 -58.84 -48.66 96.39 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.305 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.8 Cg_endo -63.62 -14.15 40.89 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.338 2.025 . . . . 0.0 112.395 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 67.5 mm-40 -84.84 -26.97 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.353 0.597 . . . . 0.0 111.096 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 61.8 t -79.74 -44.1 23.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.614 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.67 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -58.83 -32.55 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 121.282 0.563 . . . . 0.0 111.172 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.9 ptpt -74.52 -38.61 62.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.666 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.612 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 33.7 t80 -61.78 -44.12 97.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 -176.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -67.97 -39.89 83.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.368 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.7 m -72.79 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.863 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -77.6 -36.98 51.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 111.06 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -102.2 -171.34 1.95 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.176 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.55 116.41 52.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 58.9 t -142.65 120.25 7.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -114.04 -30.82 6.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.463 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.7 m -69.42 -44.37 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.49 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 528' ' ' PRO . 6.0 m -116.95 137.75 49.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.42 0.629 . . . . 0.0 112.59 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -113.35 171.38 7.59 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.406 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.47 -32.45 57.76 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.44 -28.9 65.72 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.524 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 35.5 m80 -74.35 -11.76 60.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 111.023 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.661 ' HE1' ' CE2' ' A' ' 583' ' ' PHE . 59.8 m-85 -108.64 128.19 54.62 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.79 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.3 t -135.49 134.51 39.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.631 ' HE2' ' CE1' ' A' ' 585' ' ' PHE . 37.6 m-85 -108.33 -2.43 19.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 111.407 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.1 m -61.74 117.39 27.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.55 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -74.54 11.59 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.63 2.22 . . . . 0.0 112.259 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 588' ' ' ARG . 48.1 mtm180 -94.74 -2.67 50.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.475 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 53.9 tpp -96.47 106.35 28.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.417 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.406 ' HB3' HG22 ' A' ' 614' ' ' ILE . 92.7 Cg_endo -82.89 67.48 7.78 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.238 2.625 . . . . 0.0 112.928 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.539 HG11 ' HB3' ' A' ' 526' ' ' ARG . 76.8 t -104.96 -73.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.44 -95.42 0.84 Allowed Glycine 0 C--N 1.336 0.542 0 C-N-CA 119.532 -1.318 . . . . 0.0 112.857 -170.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.49 138.57 54.55 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 12.9 m-85 -123.01 132.54 54.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.336 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.626 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 20.0 m-85 -129.85 155.26 46.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 178.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -134.31 129.37 35.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.23 126.27 30.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.155 0.502 . . . . 0.0 110.034 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -134.02 156.73 47.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.979 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -102.9 145.47 29.76 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.546 0.688 . . . . 0.0 111.094 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.601 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 20.6 p -136.41 165.21 37.17 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.324 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.7 Cg_endo -60.23 -10.37 12.84 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.937 2.424 . . . . 0.0 112.709 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.601 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 13.3 pt-20 -102.11 -15.78 16.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.143 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.48 -174.98 20.46 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.642 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.6 121.72 20.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.212 0.53 . . . . 0.0 110.663 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.407 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.2 pt20 -135.79 145.97 47.08 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.633 178.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -88.54 111.83 22.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.7 t -92.36 127.1 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.462 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -74.23 136.59 42.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.003 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.17 142.85 27.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.487 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.2 m -79.48 167.04 21.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -54.99 -32.4 61.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 111.392 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.16 -25.89 47.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.559 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -82.04 -29.52 31.89 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 610' ' ' SER . 43.5 mt -47.77 -58.72 7.01 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.073 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.7 Cg_endo -59.97 -30.95 92.84 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.542 2.162 . . . . 0.0 112.616 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 m -66.25 -39.64 89.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.027 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -72.6 -39.18 67.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.845 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.0 mt -56.48 -41.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.843 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.0 mm-40 -56.43 -34.97 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.094 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -79.2 -43.85 23.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.735 0.302 . . . . 0.0 111.006 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.491 0.662 . . . . 0.0 110.177 178.457 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.509 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -100.48 147.68 33.92 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.505 177.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.1 -42.49 64.38 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.791 2.327 . . . . 0.0 112.116 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' A' ' 526' ' ' ARG . 13.2 pt-20 -60.29 -37.91 81.96 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.69 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 27.9 mm-40 -72.09 -33.64 68.05 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.564 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 67.4 t -71.79 -31.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.833 0.349 . . . . 0.0 111.348 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.466 ' HB3' HG11 ' A' ' 591' ' ' VAL . 7.7 ptm180 -79.94 -15.64 56.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.352 -0.218 . . . . 0.0 111.197 174.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.22 -49.65 74.84 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 122.361 0.264 . . . . 0.0 111.213 177.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.4 Cg_exo -55.73 -37.85 95.03 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.43 2.087 . . . . 0.0 112.376 174.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -63.08 -25.24 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.511 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -85.72 -8.03 58.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -128.12 55.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.521 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.08 -45.93 3.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.128 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.469 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.8 m95 -60.85 156.46 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -175.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -133.38 161.33 34.81 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.733 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.5 tmt_? -147.77 119.42 8.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.116 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -114.52 142.18 46.74 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.403 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.5 116.79 53.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -107.56 118.02 35.62 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.245 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 41.9 mt -110.74 123.62 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 121.544 0.688 . . . . 0.0 110.472 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.89 144.19 50.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.44 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.35 122.74 22.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -86.89 168.43 39.31 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.576 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.4 m -64.7 -27.35 68.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.257 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -109.12 -58.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.875 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -135.74 -173.25 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.079 0.466 . . . . 0.0 111.365 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -85.86 124.84 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.446 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -128.64 161.16 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.576 0.703 . . . . 0.0 111.856 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.13 151.66 23.41 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -139.2 150.28 45.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.878 0.847 . . . . 0.0 111.387 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.452 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 27.5 m -104.47 126.68 51.78 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.016 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -107.97 146.05 33.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 110.425 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.631 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 22.2 m-85 -130.98 152.81 49.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.083 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.664 ' HD1' ' CD2' ' A' ' 553' ' ' TYR . 27.3 m-85 -135.18 130.11 34.82 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.82 131.41 25.9 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.446 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.16 6.6 2.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.169 -175.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.89 -142.18 3.34 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.031 -1.08 . . . . 0.0 112.993 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -177.41 5.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.341 -0.429 . . . . 0.0 111.263 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.87 142.67 49.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.143 0.497 . . . . 0.0 110.338 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -127.94 145.0 51.1 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.901 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -135.03 11.97 3.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.884 0.85 . . . . 0.0 109.397 176.514 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.0 OUTLIER -121.93 145.13 48.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.494 174.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 563' ' ' PHE . 10.6 t80 -58.23 -49.62 92.6 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.788 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 40.9 Cg_endo -65.18 -13.6 40.63 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.269 1.979 . . . . 0.0 112.422 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 35.4 mm-40 -86.93 -25.89 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.146 0.498 . . . . 0.0 110.929 176.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.16 -44.1 27.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.432 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.695 HD12 ' CE1' ' A' ' 563' ' ' PHE . 12.6 mm -57.67 -33.41 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -178.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.2 -37.8 63.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.834 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.12 -42.03 97.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.56 -38.56 84.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.39 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 40.9 m -72.68 -41.22 65.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.521 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 28.8 mtp180 -78.61 -19.16 53.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 -176.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -118.76 -171.24 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.038 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.6 t -114.52 116.54 52.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 22.7 t -144.83 110.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.006 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -109.09 -25.76 10.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.2 m -69.44 -44.49 71.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.079 0.466 . . . . 0.0 110.605 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.483 HG13 ' HA ' ' A' ' 528' ' ' PRO . 15.7 m -121.48 138.72 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.449 0.643 . . . . 0.0 112.309 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.427 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 23.2 mmm180 -112.42 175.47 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -31.28 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.345 0.521 . . . . 0.0 111.781 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.8 pt-20 -61.31 -21.74 64.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.504 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.0 m80 -82.45 -10.71 58.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.583 0.706 . . . . 0.0 110.634 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.635 ' HE1' ' CE2' ' A' ' 583' ' ' PHE . 72.4 m-85 -107.08 127.18 53.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.0 m -136.11 132.05 35.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.479 ' CE1' ' HD1' ' A' ' 552' ' ' TYR . 53.5 m-85 -103.23 -0.45 30.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.788 -176.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 24.4 m -62.85 117.62 34.13 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.696 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.8 11.42 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.006 2.471 . . . . 0.0 112.081 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -100.37 2.26 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.6 tpp -97.83 104.5 21.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.216 176.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.41 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 90.6 Cg_endo -81.51 70.54 7.29 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.985 2.457 . . . . 0.0 112.712 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 526' ' ' ARG . 75.5 t -105.43 -70.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.52 -109.91 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.684 -1.246 . . . . 0.0 112.266 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -109.62 139.22 44.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.369 0.604 . . . . 0.0 110.582 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.668 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 11.0 m-85 -120.31 132.71 55.42 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.299 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.666 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 13.5 m-85 -130.79 155.14 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.11 127.22 37.68 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.281 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -74.68 120.3 20.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -136.8 156.9 47.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.113 -172.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.39 143.16 30.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.863 0.839 . . . . 0.0 110.882 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.555 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.8 p -135.75 164.84 40.5 Favored Pre-proline 0 C--N 1.305 -1.366 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.18 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.554 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.5 Cg_endo -59.24 -14.97 26.58 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.873 2.382 . . . . 0.0 112.859 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.555 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.1 pt-20 -97.14 -17.96 19.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.13 0.49 . . . . 0.0 110.265 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.68 -164.99 25.15 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.222 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.25 122.47 28.46 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -137.05 151.0 48.43 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.979 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -88.56 110.2 20.7 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 50.8 t -93.84 128.8 44.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.208 0.528 . . . . 0.0 110.529 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -74.13 135.68 42.9 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.063 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.4 mt -96.1 142.61 28.08 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.447 ' O ' HG13 ' A' ' 614' ' ' ILE . 4.0 m -79.65 166.75 21.52 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.407 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.09 -34.36 56.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.091 0.244 . . . . 0.0 111.349 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.94 -29.96 63.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.103 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.03 -28.83 32.29 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 110.872 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 618' ' ' ILE . 34.1 mt -46.92 -58.54 6.81 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.153 -0.93 . . . . 0.0 113.251 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.637 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.9 Cg_endo -60.72 -32.95 93.63 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.405 2.07 . . . . 0.0 112.683 -175.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.2 m -64.46 -39.89 94.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 0.0 110.274 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -72.03 -39.57 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.0 mt -56.73 -42.99 78.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.109 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.4 mm-40 -58.48 -32.95 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.7 -43.4 25.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.058 0.456 . . . . 0.0 110.726 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 0.0 110.169 178.507 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.552 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -104.0 143.86 27.51 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.16 171.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.45 -42.91 58.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 112.277 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.95 -39.94 79.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 18.1 mm-40 -72.71 -31.79 65.26 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.22 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.599 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 57.5 t -71.35 -31.98 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.865 0.364 . . . . 0.0 111.283 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.488 ' HB3' HG11 ' A' ' 591' ' ' VAL . 1.2 ptm180 -80.34 -14.33 58.44 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.532 174.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -51.45 -48.49 86.2 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 122.191 0.196 . . . . 0.0 111.327 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.599 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 49.7 Cg_exo -56.93 -37.09 99.16 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.407 2.071 . . . . 0.0 112.223 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 71.1 mt -63.47 -20.9 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.3 mt-30 -87.05 -17.04 33.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.565 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -122.01 58.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.42 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . 0.429 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 84.01 -38.94 2.84 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.409 174.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 71.2 m95 -64.38 155.42 32.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.315 0.557 . . . . 0.0 111.611 -176.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -130.95 157.67 42.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.643 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.6 ttt180 -146.12 119.88 9.24 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.693 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.07 141.91 46.86 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.339 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.76 117.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.22 120.83 43.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.757 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.74 125.1 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.927 -174.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -132.58 142.73 49.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.015 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.5 tptm -73.55 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.657 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.37 168.92 20.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.001 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -69.24 -25.88 64.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.039 0.447 . . . . 0.0 110.269 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -101.51 -55.06 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.787 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -146.95 -174.94 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.142 0.496 . . . . 0.0 111.208 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.405 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 47.8 m95 -87.17 124.71 33.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.788 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -125.65 163.74 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.611 0.72 . . . . 0.0 111.457 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.19 150.53 22.29 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.624 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -136.71 148.01 47.08 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.714 0.769 . . . . 0.0 110.791 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 55.5 m -106.48 125.42 50.98 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.76 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.14 145.59 33.93 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.655 0.741 . . . . 0.0 110.409 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 0.643 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 13.9 m-85 -131.58 153.88 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.604 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 35.4 m-85 -134.19 130.89 37.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.583 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.76 19.86 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . 0.429 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 42.9 Cg_endo -68.65 -7.17 19.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.834 2.356 . . . . 0.0 113.034 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -135.32 5.14 3.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.14 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.91 -142.58 3.44 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.747 -1.216 . . . . 0.0 113.286 -168.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -176.49 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.449 . . . . 0.0 111.401 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.72 138.23 53.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.214 0.531 . . . . 0.0 110.348 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.5 mpp? -121.45 144.54 48.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 -176.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.62 8.95 2.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.814 0.816 . . . . 0.0 110.14 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.424 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 14.0 mm100 -119.88 145.77 46.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.393 173.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.599 ' HD2' ' CD1' ' A' ' 563' ' ' PHE . 13.3 t80 -55.31 -49.08 94.45 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.462 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 33.4 Cg_endo -63.74 -15.71 50.48 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.243 1.962 . . . . 0.0 112.537 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.424 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 98.7 mt-10 -84.09 -27.96 27.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 176.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.624 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.1 t -77.67 -44.21 29.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.422 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.711 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.2 mm -58.88 -33.06 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.132 0.491 . . . . 0.0 111.025 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -74.16 -38.63 63.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.005 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.656 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 39.6 t80 -65.46 -41.67 93.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 27.1 mt -66.39 -35.01 79.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.191 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 45.7 m -73.46 -44.65 57.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.02 -35.71 59.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.046 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.49 170.2 8.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.56 116.27 31.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.88 132.98 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -138.06 -26.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.782 0.325 . . . . 0.0 110.776 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 22.5 m -68.06 -39.21 83.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 0.0 110.551 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 528' ' ' PRO . 9.8 m -121.06 138.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.671 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -113.41 175.36 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -31.34 53.99 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.402 0.546 . . . . 0.0 112.174 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.65 -28.09 65.36 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 42.3 m80 -77.65 -11.91 59.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.543 . . . . 0.0 110.965 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 0.58 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 59.2 m-85 -107.76 126.99 53.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.774 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 78.4 p -136.42 137.99 41.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.443 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.3 m-85 -106.47 -3.41 20.95 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.798 -176.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.3 m -61.8 118.6 40.03 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.15 12.82 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.924 2.416 . . . . 0.0 112.287 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -99.25 1.18 44.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.469 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 55.3 tpp -98.86 103.5 19.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.405 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 87.0 Cg_endo -80.18 71.22 7.16 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 123.001 2.467 . . . . 0.0 112.569 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 525' ' ' VAL . 69.0 t -106.39 -71.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -176.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.26 -112.12 0.96 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.546 -1.311 . . . . 0.0 112.352 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -110.49 141.34 43.75 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.36 0.6 . . . . 0.0 110.346 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 13.1 m-85 -119.85 132.57 55.61 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.037 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 595' ' ' PHE . 9.9 m-85 -130.97 152.33 50.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.112 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -132.82 131.64 41.27 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.0 121.3 21.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 598' ' ' ARG . 19.3 ttt180 -134.14 158.08 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.022 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -100.46 140.7 34.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.489 0.661 . . . . 0.0 110.831 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.2 p -134.35 165.0 39.94 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.815 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.18 -12.58 23.87 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.472 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.4 pt-20 -99.98 -13.62 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.001 0.429 . . . . 0.0 110.464 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.55 -170.48 22.33 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 119.807 -1.187 . . . . 0.0 114.068 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.25 117.61 20.42 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.426 0.632 . . . . 0.0 110.636 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -135.32 153.08 51.98 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.51 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.26 110.57 20.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.76 128.58 45.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.85 135.87 43.43 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.818 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 39.6 mt -95.6 143.16 27.12 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 614' ' ' ILE . 50.5 m -88.68 169.58 11.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.41 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.55 -34.05 56.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.165 0.291 . . . . 0.0 111.769 -175.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -67.33 -35.95 80.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 110.031 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -81.65 -30.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.089 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 618' ' ' ILE . 37.8 mt -46.18 -59.15 5.22 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.279 -176.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 37.2 Cg_endo -64.64 -28.25 60.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.347 2.031 . . . . 0.0 112.658 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.6 m -69.22 -36.68 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.065 0.46 . . . . 0.0 110.259 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.0 -38.83 66.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 174.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -57.03 -38.39 60.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.695 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 26.0 mm-40 -57.91 -36.05 71.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.734 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.11 -45.08 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.001 0.429 . . . . 0.0 111.139 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.197 -176.113 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.811 0.339 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.73 148.1 34.56 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.137 175.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.47 -42.49 60.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.284 . . . . 0.0 112.167 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -57.25 -40.33 77.41 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.446 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.5 mm-40 -71.85 -38.38 70.11 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.326 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 521' ' ' THR . 87.9 t -66.83 -30.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.36 -15.26 43.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.842 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.63 -54.24 33.23 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.483 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 18.7 Cg_endo -60.18 -29.81 89.9 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.704 2.27 . . . . 0.0 112.597 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 41.5 mt -68.78 -19.93 64.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.527 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -86.69 -21.41 26.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.255 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -92.78 -27.12 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.837 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.86 -25.82 0.92 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.047 -1.073 . . . . 0.0 112.606 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.52 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.8 m95 -63.83 157.15 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.653 0.263 . . . . 0.0 110.558 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -133.78 158.87 42.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.602 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 8.4 ttt180 -143.29 120.94 11.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -112.22 139.13 48.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.22 115.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . 0.478 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 89.4 mtt180 -106.6 119.48 39.4 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.482 -174.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.03 123.61 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.305 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -130.52 147.32 52.19 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.069 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.3 tptm -75.61 124.77 27.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.761 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.68 167.47 24.45 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.247 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.5 m -71.65 -18.55 62.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.151 0.5 . . . . 0.0 110.457 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.24 -54.37 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.607 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.09 -176.82 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.405 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 42.4 m95 -82.26 125.07 30.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.525 176.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -126.19 157.83 37.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.437 0.637 . . . . 0.0 111.525 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -150.79 150.74 22.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.863 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.83 148.5 47.18 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.6 0.714 . . . . 0.0 110.673 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 51.2 m -108.31 125.83 52.14 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.029 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -109.4 149.27 29.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.193 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.587 ' HE2' ' CE1' ' A' ' 552' ' ' TYR . 19.5 m-85 -132.28 154.83 49.28 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.099 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.9 131.88 39.63 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.53 131.43 16.58 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.233 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 -26.94 44.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.505 2.137 . . . . 0.0 112.179 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.2 p -119.44 6.31 11.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.703 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.55 -146.1 4.38 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.661 -1.256 . . . . 0.0 113.324 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 0.0 111.573 -176.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 143.32 45.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.483 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -126.17 143.79 51.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.293 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -135.27 7.93 3.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.791 0.805 . . . . 0.0 109.899 176.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.487 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 0.1 OUTLIER -118.2 145.39 45.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.402 175.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.751 ' CE1' HD12 ' A' ' 567' ' ' ILE . 11.0 t80 -54.41 -49.8 88.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.493 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.0 Cg_endo -64.0 -14.04 41.02 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.317 2.011 . . . . 0.0 112.711 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 36.8 mt-10 -84.37 -28.57 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.258 0.552 . . . . 0.0 111.057 176.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 62.2 t -78.87 -43.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.491 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.751 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -60.17 -32.9 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 19.8 ptpt -73.74 -38.06 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.173 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.619 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 33.9 t80 -64.91 -42.38 94.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -175.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.7 mt -68.2 -38.9 82.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.575 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.7 t -73.03 -40.42 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.544 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.8 mtp180 -77.19 -42.88 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 111.53 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -98.15 -177.12 3.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.842 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.23 115.9 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.103 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 47.0 t -146.16 123.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -123.66 -27.33 4.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 p -68.95 -43.85 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 111.054 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 528' ' ' PRO . 2.4 m -117.61 137.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.705 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -113.44 171.49 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -31.63 58.93 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -176.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.33 -30.62 64.95 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.509 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 40.8 m80 -74.26 -12.56 60.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.986 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.667 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 49.4 m-85 -109.83 126.38 53.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.541 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 69.2 p -134.82 137.75 43.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.642 ' HE1' ' CE2' ' A' ' 585' ' ' PHE . 60.5 m-85 -106.21 -2.38 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.036 0.446 . . . . 0.0 111.199 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.0 m -62.73 115.18 15.2 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.955 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.52 12.91 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.839 2.359 . . . . 0.0 112.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -98.83 1.04 45.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.68 0.753 . . . . 0.0 109.017 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 53.7 tpp -93.62 108.29 33.12 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.771 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.2 55.95 5.26 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.272 2.648 . . . . 0.0 112.472 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 43.8 t -137.17 140.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.328 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 104.08 -122.79 7.51 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.01 140.78 36.31 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.646 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 14.4 m-85 -119.85 132.05 55.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.014 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.629 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 21.2 m-85 -129.12 153.35 47.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 0.0 110.402 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -130.43 123.75 30.52 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.81 120.84 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -132.14 158.21 42.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.86 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -99.67 143.83 29.45 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.819 0.818 . . . . 0.0 110.845 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.9 p -135.39 164.59 42.61 Favored Pre-proline 0 C--N 1.306 -1.32 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.173 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.9 Cg_endo -61.87 -11.24 20.19 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.584 2.19 . . . . 0.0 112.704 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.585 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 14.9 pt-20 -102.63 -15.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.561 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.18 -171.71 23.53 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.681 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.14 123.71 29.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.313 0.578 . . . . 0.0 110.141 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.428 ' NE2' HG22 ' A' ' 600' ' ' THR . 9.0 pt20 -136.43 150.76 48.91 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.373 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 64.4 m95 -87.06 110.11 19.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.69 124.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.207 0.527 . . . . 0.0 110.548 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -73.19 136.06 44.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.049 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 24.4 mt -98.52 145.37 26.86 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 614' ' ' ILE . 16.8 p -80.69 167.38 20.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.428 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.19 -35.08 48.11 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.11 -31.73 64.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.03 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . 0.444 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 35.6 mt-10 -81.66 -28.54 33.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.925 0.393 . . . . 0.0 110.948 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 610' ' ' SER . 35.2 mt -46.32 -58.55 6.36 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.1 Cg_endo -60.71 -33.27 93.37 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.533 2.155 . . . . 0.0 112.89 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.26 -35.26 77.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.452 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -72.81 -40.59 65.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 614' ' ' ILE . 67.9 mt -56.98 -44.27 82.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.829 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 35.3 mm-40 -54.91 -34.11 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.81 -43.25 25.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.3 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.457 0.646 . . . . 0.0 109.98 178.132 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.992 0.425 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.477 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.94 147.02 33.31 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 175.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.2 -42.96 61.15 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.938 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.26 -40.61 78.02 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.556 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.56 -35.97 70.79 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 111.273 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.478 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 94.0 t -68.4 -30.7 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.345 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.75 -15.11 49.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.769 178.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -52.72 -50.92 78.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 122.727 0.411 . . . . 0.0 111.615 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.6 Cg_exo -60.22 -32.39 94.32 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.189 1.926 . . . . 0.0 112.295 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.6 mt -67.13 -20.71 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.471 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 31.9 mt-30 -86.11 -21.38 27.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.325 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.021 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . 0.493 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 154.06 -28.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.731 -1.223 . . . . 0.0 113.18 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.6 m95 -62.21 156.42 21.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 110.662 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -131.8 158.1 42.15 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 7.3 ttt180 -142.9 120.14 11.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.26 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -113.58 139.38 49.05 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.42 117.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.7 mtt180 -102.67 119.86 39.57 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.102 -175.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 32.6 mt -114.71 122.75 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-O 121.449 0.642 . . . . 0.0 110.412 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -130.67 148.28 52.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.855 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.0 126.68 30.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.764 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.64 167.02 30.68 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.668 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.1 m -68.75 -25.0 64.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.219 0.533 . . . . 0.0 110.09 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -109.38 -57.78 2.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.714 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.67 -177.87 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.467 0.651 . . . . 0.0 111.818 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -84.98 125.29 32.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.869 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -125.72 149.63 48.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.816 0.817 . . . . 0.0 111.842 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -142.25 150.45 22.11 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.61 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.87 149.81 45.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.564 0.697 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 56.2 m -106.44 126.05 51.76 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.087 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -108.98 149.05 29.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.657 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 17.0 m-85 -133.69 152.03 51.79 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.661 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.621 ' HD2' ' CD1' ' A' ' 553' ' ' TYR . 56.7 m-85 -133.91 132.87 40.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.372 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.02 139.18 32.19 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.986 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . 0.493 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 74.8 Cg_endo -78.42 -7.23 15.88 Favored 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 123.011 2.474 . . . . 0.0 112.341 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 48.6 t -141.35 5.54 1.86 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.339 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.62 -149.73 5.46 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.253 -169.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.448 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -74.82 -177.19 3.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.929 -0.636 . . . . 0.0 111.81 -175.251 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.74 140.36 50.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.101 0.477 . . . . 0.0 110.703 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -127.6 148.96 50.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.977 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.35 10.21 3.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.601 0.715 . . . . 0.0 109.526 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -117.08 145.78 43.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.775 176.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.646 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 8.9 t80 -60.48 -49.59 89.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.601 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.525 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 46.8 Cg_endo -66.71 -10.92 29.85 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.216 1.944 . . . . 0.0 112.643 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.7 -26.8 22.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 111.079 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 64.9 t -79.45 -43.28 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.9 mm -59.01 -31.28 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.035 0.445 . . . . 0.0 111.393 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.3 ptpt -74.65 -36.32 62.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.079 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.654 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 22.8 t80 -63.65 -42.2 98.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.03 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.32 -42.15 84.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.146 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 19.7 m -72.96 -40.94 64.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.657 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -77.0 -17.03 59.13 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.459 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -123.1 -167.08 1.54 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.8 t -115.74 115.42 49.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 59.6 t -150.13 105.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.98 -9.37 10.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 21.5 m -73.77 -43.38 59.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 0.0 109.862 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 12.3 m -120.79 141.62 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.947 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.11 175.42 5.45 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.414 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.007 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.89 -27.51 65.29 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 47.2 m80 -73.0 -11.41 60.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.379 0.609 . . . . 0.0 110.632 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 583' ' ' PHE . 48.2 m-85 -108.97 127.26 53.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.515 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 50.9 p -132.92 133.53 43.35 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 0.416 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.8 m-85 -102.64 -6.08 23.13 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.501 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 58.5 m -61.79 116.95 24.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.701 171.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.93 13.54 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.727 2.285 . . . . 0.0 112.172 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -94.24 -2.0 53.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 52.6 tpp -94.79 108.19 35.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.039 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.2 55.64 5.45 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.245 2.63 . . . . 0.0 112.814 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.27 141.41 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 102.0 -124.77 8.31 Favored Glycine 0 N--CA 1.435 -1.408 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -138.99 140.05 38.08 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.0 131.27 55.1 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.053 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.634 ' HE1' ' CE2' ' A' ' 595' ' ' PHE . 18.3 m-85 -130.65 153.92 48.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.313 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -131.51 126.69 35.58 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.187 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.99 121.68 22.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -135.17 156.96 48.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.477 -172.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.54 134.24 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.573 0.702 . . . . 0.0 111.576 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.609 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.3 p -130.18 164.91 37.58 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.022 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.8 Cg_endo -61.65 -11.59 21.1 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.741 2.294 . . . . 0.0 112.892 177.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.609 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.6 pt-20 -99.68 -17.62 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.235 0.54 . . . . 0.0 109.823 175.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.87 -170.04 23.63 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.596 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.63 122.46 25.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.35 0.595 . . . . 0.0 110.145 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.413 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.1 pt20 -136.31 149.5 48.45 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . 0.401 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 66.1 m95 -87.17 110.38 20.11 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.85 127.41 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.218 0.532 . . . . 0.0 110.573 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.78 134.97 43.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.95 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.7 mt -95.13 143.37 26.63 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.4 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -81.37 166.6 20.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -54.33 -33.88 59.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.428 0.156 . . . . 0.0 111.339 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.87 -29.99 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.679 0.276 . . . . 0.0 111.145 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.2 -27.98 32.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 618' ' ' ILE . 34.7 mt -47.91 -58.12 8.57 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.738 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.529 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.0 Cg_endo -59.6 -32.94 96.8 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.646 2.23 . . . . 0.0 112.509 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.3 m -63.02 -40.99 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.07 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.9 mpt_? -72.87 -39.7 66.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.093 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.8 mt -56.78 -38.79 60.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.82 -34.36 75.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.22 -44.22 30.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.924 0.392 . . . . 0.0 111.181 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 617' ' ' ARG . 46.6 pt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.24 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.956 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.417 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.4 OUTLIER -99.52 153.41 37.79 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.41 174.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 7.8 Cg_endo -51.5 -43.46 49.95 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.029 1.819 . . . . 0.0 111.429 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.417 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 13.6 pt-20 -55.67 -42.49 75.17 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.431 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 7.4 mm-40 -69.57 -35.94 75.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.536 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 63.7 t -74.71 -31.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.999 0.428 . . . . 0.0 111.191 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.476 ' HB3' HG11 ' A' ' 591' ' ' VAL . 6.1 ptm180 -81.64 -15.77 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.55 -50.42 66.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 122.42 0.288 . . . . 0.0 111.066 177.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.536 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 40.9 Cg_exo -57.3 -36.62 98.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.522 2.148 . . . . 0.0 112.249 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 65.6 mt -63.33 -27.1 69.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.369 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -81.91 -19.69 40.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.873 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -99.12 -21.95 15.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 147.23 -23.85 1.57 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.064 -1.065 . . . . 0.0 112.79 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.494 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 56.3 m95 -64.58 160.64 19.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.575 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -128.9 159.58 35.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.683 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 2.2 ttt180 -145.8 118.72 8.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.448 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.85 141.22 48.38 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.2 t -116.51 118.84 60.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.223 0.535 . . . . 0.0 109.67 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -101.74 117.91 35.84 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.303 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.1 mt -112.67 122.85 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.605 0.717 . . . . 0.0 110.795 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -128.6 146.34 50.88 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.764 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 24.5 tptm -73.52 122.35 22.06 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.47 169.16 32.67 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.271 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.8 m -66.21 -26.36 67.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.075 0.465 . . . . 0.0 110.487 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -106.56 -59.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.64 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -140.97 -170.06 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -176.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.416 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.7 m95 -85.47 124.5 32.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.582 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -128.2 159.96 33.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.508 0.67 . . . . 0.0 111.908 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -144.71 151.17 23.31 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.951 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -133.76 145.03 49.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.269 0.557 . . . . 0.0 109.992 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.8 m -107.81 124.58 50.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.975 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -109.56 147.77 32.42 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.654 0.74 . . . . 0.0 110.794 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 0.683 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.0 m-85 -130.1 152.13 49.88 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.185 177.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.644 ' HE2' ' CE1' ' A' ' 553' ' ' TYR . 28.9 m-85 -135.75 129.6 32.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.45 27.91 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.007 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.79 -6.94 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.908 2.405 . . . . 0.0 112.522 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.63 7.02 1.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.234 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.84 -148.18 5.01 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.096 -1.05 . . . . 0.0 113.046 -171.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -176.2 3.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.605 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.45 140.08 50.07 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.413 0.625 . . . . 0.0 110.601 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.16 144.76 50.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.518 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.44 8.64 2.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.761 0.791 . . . . 0.0 110.227 177.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.447 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.7 mm100 -117.29 145.49 43.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.673 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.658 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 9.6 t80 -55.64 -48.93 95.4 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.199 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.7 Cg_endo -62.23 -16.61 52.03 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.54 2.16 . . . . 0.0 112.622 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 92.7 mt-10 -83.84 -28.5 27.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.806 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.598 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.7 t -78.41 -44.82 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.669 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -57.83 -33.5 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.081 0.467 . . . . 0.0 111.334 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 18.9 ptpt -73.71 -39.1 64.58 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.27 -40.67 96.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.884 0.373 . . . . 0.0 110.255 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.6 mt -67.29 -32.26 73.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.8 t -73.83 -31.79 63.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.804 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 31.8 mtp180 -83.1 -34.46 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.819 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -115.62 152.96 32.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 38.8 t -79.67 116.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.89 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.9 111.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.022 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -108.13 -21.9 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 16.4 p -72.52 -45.46 59.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.489 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.0 m -122.71 137.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.364 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -113.99 175.22 5.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.445 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.53 -32.4 40.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.3 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.55 -29.63 69.26 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.52 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 44.8 m80 -75.06 -11.21 60.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.656 0.741 . . . . 0.0 110.571 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.654 ' HE2' ' CE1' ' A' ' 583' ' ' PHE . 56.1 m-85 -107.71 125.25 51.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.366 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 34.4 t -135.96 134.66 38.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.624 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 57.8 m-85 -105.23 -2.42 24.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.816 -175.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 43.6 m -61.91 118.24 36.87 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.52 11.13 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.786 2.324 . . . . 0.0 112.001 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -100.85 2.33 40.92 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.47 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 57.5 tpp -95.36 103.71 13.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.815 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.52 67.09 8.51 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.869 2.379 . . . . 0.0 112.691 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.49 HG22 ' HB ' ' A' ' 525' ' ' VAL . 63.7 t -105.29 -71.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -173.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.84 -105.15 0.92 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.647 -1.263 . . . . 0.0 112.345 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.409 0.624 . . . . 0.0 110.733 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 0.41 ' HB2' HG12 ' A' ' 614' ' ' ILE . 12.9 m-85 -122.03 132.29 54.44 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.425 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 595' ' ' PHE . 17.8 m-85 -130.32 154.55 47.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.59 129.51 37.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -74.44 125.16 27.95 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -133.32 158.89 41.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.33 -175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.82 140.69 32.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.835 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.557 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.7 p -133.5 164.21 45.61 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.089 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 21.5 Cg_endo -61.03 -11.51 18.75 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.775 2.317 . . . . 0.0 112.664 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.557 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.2 pt-20 -101.83 -14.56 17.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.52 -169.45 24.32 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.84 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.41 120.69 27.16 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.929 -0.635 . . . . 0.0 110.506 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.489 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.8 pt20 -137.78 150.7 47.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.083 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -89.22 111.58 22.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 23.1 t -93.01 127.42 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.159 0.504 . . . . 0.0 110.218 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.34 135.25 44.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.809 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.65 142.62 27.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.6 m -82.55 165.36 20.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -66.89 -37.6 84.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.08 -27.08 33.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 618' ' ' ILE . 29.5 mt -47.15 -58.94 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 33.0 Cg_endo -64.42 -27.57 62.72 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.247 1.965 . . . . 0.0 112.289 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 -39.83 92.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.292 0.568 . . . . 0.0 109.7 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.432 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.3 mpt_? -72.63 -39.07 67.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.674 176.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.6 mt -56.84 -38.23 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.014 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.6 mm-40 -59.68 -35.09 73.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.946 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.5 -43.97 25.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 617' ' ' ARG . 36.9 pt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.137 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 121.185 0.517 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.552 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.02 145.19 30.11 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.776 173.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.24 -42.56 59.22 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.5 2.134 . . . . 0.0 111.794 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.1 -42.65 81.17 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.109 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.2 mm-40 -72.75 -28.95 62.93 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 111.495 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 521' ' ' THR . 58.2 t -74.57 -32.9 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 4.4 ptm180 -78.84 -16.43 57.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.255 -0.278 . . . . 0.0 111.019 175.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.76 -53.91 37.21 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 122.822 0.449 . . . . 0.0 111.928 179.13 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.521 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.5 Cg_endo -59.97 -30.0 90.66 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.2 1.934 . . . . 0.0 112.321 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 52.5 mt -65.99 -24.44 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.249 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 36.0 mt-30 -84.11 -17.6 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.634 -177.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -101.19 -21.78 14.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.75 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . 0.46 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 149.62 -25.21 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.943 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.546 ' O ' ' HD2' ' A' ' 534' ' ' ARG . 66.0 m95 -63.23 157.19 23.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 533' ' ' TRP . 3.2 mpt_? -127.91 159.14 35.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 174.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.647 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.4 ttt180 -146.38 118.64 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.535 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -119.26 141.52 48.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.664 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.9 t -116.79 122.17 69.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.168 0.509 . . . . 0.0 110.158 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -104.94 120.59 41.82 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.912 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mt -114.39 123.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.329 0.585 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.35 146.64 51.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.006 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.454 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 47.3 tptt -79.79 129.09 34.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.986 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -100.77 169.53 21.24 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.87 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 51.9 m -64.96 -23.72 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -107.46 -59.24 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.047 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -135.14 -179.99 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.88 0.848 . . . . 0.0 111.974 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.454 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.3 m95 -86.25 124.19 32.35 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.246 170.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -128.39 148.93 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.967 0.889 . . . . 0.0 112.168 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -135.9 151.87 20.84 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.912 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.62 148.02 45.47 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.498 0.665 . . . . 0.0 110.337 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 59.5 m -107.01 125.36 50.91 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.955 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -109.05 148.44 30.79 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.712 0.768 . . . . 0.0 110.741 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 0.647 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.9 m-85 -131.36 152.05 50.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.957 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.614 ' HE2' ' CE1' ' A' ' 553' ' ' TYR . 25.7 m-85 -134.9 129.5 34.46 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.05 135.68 37.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.178 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . 0.46 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 63.9 Cg_endo -74.37 -7.01 19.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.998 2.465 . . . . 0.0 112.354 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 10.3 p -143.95 7.3 1.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.116 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -147.79 4.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.757 -1.211 . . . . 0.0 113.518 -169.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -176.49 3.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.99 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.01 143.18 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.105 0.478 . . . . 0.0 110.589 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -130.98 147.82 52.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.697 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -140.63 13.36 2.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.754 0.788 . . . . 0.0 110.004 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.408 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.0 mm100 -120.35 145.21 47.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.242 173.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.731 ' CE1' HD12 ' A' ' 567' ' ' ILE . 12.6 t80 -56.96 -49.65 92.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.454 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.575 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 36.0 Cg_endo -64.2 -15.41 49.32 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.21 1.94 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 37.7 mm-40 -86.54 -26.59 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.269 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 41.8 t -78.4 -43.45 26.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.791 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.731 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -57.72 -33.23 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 121.086 0.469 . . . . 0.0 111.308 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.0 ptpt -74.0 -37.37 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.275 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.666 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 32.9 t80 -61.97 -42.09 98.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.479 . . . . 0.0 109.903 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 21.9 mt -66.78 -34.41 77.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.8 t -73.34 -37.91 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.033 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 19.8 mtp180 -73.78 -30.6 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.63 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -115.52 176.7 4.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.32 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 63.2 t -99.82 116.37 42.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 54.4 t -145.19 108.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.91 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -106.54 -27.85 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.082 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 m -68.93 -43.95 74.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.895 0.378 . . . . 0.0 111.609 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.3 m -121.03 138.95 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.437 0.637 . . . . 0.0 112.596 -178.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.54 172.64 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.667 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.484 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -51.4 -33.44 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.423 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.96 -28.83 69.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.488 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 49.7 m80 -73.46 -11.65 60.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.0 110.71 -177.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 0.562 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 54.8 m-85 -107.72 123.73 48.96 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.207 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 73.3 p -135.54 133.82 38.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 65.3 m-85 -103.44 -0.45 29.96 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.379 -176.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 14.9 m -61.15 115.8 16.09 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.645 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.96 10.53 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.81 2.34 . . . . 0.0 112.072 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -96.58 -0.76 48.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.446 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.7 tpp -99.31 104.38 26.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.514 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.415 ' HB3' HG22 ' A' ' 614' ' ' ILE . 91.9 Cg_endo -80.99 74.95 5.3 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.89 2.393 . . . . 0.0 112.259 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.482 HG11 ' HB3' ' A' ' 526' ' ' ARG . 75.1 t -108.52 -69.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -89.78 -104.94 1.16 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.503 -1.332 . . . . 0.0 112.383 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.25 140.44 49.55 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.384 0.612 . . . . 0.0 110.999 -175.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.9 m-85 -121.49 132.15 54.55 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.285 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.64 154.21 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.42 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -136.09 129.83 32.46 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.23 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 125.87 29.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 109.93 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -132.97 158.7 42.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.918 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.97 137.58 36.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.724 0.774 . . . . 0.0 111.066 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.4 p -129.44 164.67 38.08 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 114.728 -1.124 . . . . 0.0 108.981 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.526 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 29.4 Cg_endo -63.32 -11.56 26.12 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.447 2.098 . . . . 0.0 112.434 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.0 pt-20 -100.46 -15.1 18.01 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.915 0.388 . . . . 0.0 110.501 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.0 -166.38 25.17 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.649 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.75 120.96 27.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.361 0.601 . . . . 0.0 110.406 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.469 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.0 pt20 -136.2 150.8 49.16 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.249 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -87.92 110.56 20.64 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.6 t -92.65 127.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.314 0.578 . . . . 0.0 110.656 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -74.48 134.89 42.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.045 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.46 143.09 27.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 8.2 m -81.28 167.02 19.99 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.36 -34.19 56.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.058 0.224 . . . . 0.0 111.474 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.91 -25.41 52.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.613 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.05 -28.91 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.143 0.497 . . . . 0.0 110.28 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.454 ' O ' HG13 ' A' ' 618' ' ' ILE . 44.4 mt -48.39 -58.68 7.55 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.244 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.564 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 29.4 Cg_endo -62.84 -29.08 76.2 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.318 2.012 . . . . 0.0 112.378 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 31.9 t -66.11 -39.53 90.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 109.511 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -72.47 -39.49 67.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.979 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 614' ' ' ILE . 64.0 mt -57.31 -38.39 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.106 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -63.18 -33.99 76.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.838 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.28 45.1 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.925 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 -177.794 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.976 0 CA-C-O 121.402 0.62 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -103.19 149.41 36.9 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.447 171.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.09 -43.19 54.58 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.284 1.989 . . . . 0.0 111.723 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.26 -42.19 77.03 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.002 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 17.8 mm-40 -70.83 -33.28 70.52 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 111.062 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.591 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 57.5 t -74.43 -31.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.0 0.429 . . . . 0.0 111.193 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.0 ptm180 -78.64 -16.45 57.33 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.078 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.22 -49.98 66.81 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 122.424 0.29 . . . . 0.0 111.441 178.319 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -55.7 -37.97 94.84 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.481 2.12 . . . . 0.0 112.252 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 56.5 mt -65.83 -24.27 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 16.0 mt-30 -88.85 -7.85 55.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.596 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -112.89 -21.13 11.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.99 -27.37 0.91 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.253 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.46 163.49 15.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -130.53 157.51 42.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.62 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 2.1 ttt180 -146.69 119.03 8.37 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.773 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -118.84 141.84 48.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.627 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.79 122.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.129 0.49 . . . . 0.0 110.186 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . 0.452 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.59 120.53 41.51 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.919 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.6 mt -113.49 122.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.383 0.611 . . . . 0.0 110.669 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -127.53 146.46 50.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.93 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.535 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -80.46 129.89 34.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.401 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.95 162.22 15.49 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.659 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 17.5 m -67.47 -20.03 65.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.896 0.379 . . . . 0.0 110.682 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.53 -49.4 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -153.22 -178.76 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.868 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.535 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.2 m95 -86.32 125.65 33.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.887 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -127.57 159.7 33.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 111.588 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.4 151.22 23.45 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.123 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -135.25 146.8 48.94 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.476 0.655 . . . . 0.0 110.288 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 53.2 m -108.18 125.58 51.8 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.743 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -108.54 146.95 32.48 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.792 0.806 . . . . 0.0 110.515 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.645 ' HE1' ' CE2' ' A' ' 552' ' ' TYR . 0.8 OUTLIER -131.94 149.57 52.4 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.807 178.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 553' ' ' TYR . 25.7 m-85 -134.25 128.5 34.0 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.9 132.19 26.19 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.84 -6.34 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.605 2.203 . . . . 0.0 112.299 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -138.55 5.39 2.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.158 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.35 -142.43 3.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.101 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.412 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -79.83 -176.3 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.449 -0.375 . . . . 0.0 111.145 -176.657 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.14 140.96 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.16 0.505 . . . . 0.0 110.391 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.542 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.76 144.83 51.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.61 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.496 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.91 8.24 2.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.676 0.75 . . . . 0.0 110.281 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.429 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.8 mm100 -115.69 146.07 42.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.989 172.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.619 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 10.2 t80 -56.79 -48.51 97.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.174 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.5 Cg_endo -62.26 -15.43 44.52 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.492 2.128 . . . . 0.0 112.693 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 43.5 mt-10 -83.71 -28.91 27.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.146 0.498 . . . . 0.0 111.127 175.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 58.4 t -78.83 -43.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.593 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.633 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -58.2 -32.98 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.497 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.9 ptpt -74.05 -38.78 63.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 178.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . 1.665 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 36.8 t80 -63.34 -42.6 98.96 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.8 mt -66.73 -33.19 75.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.476 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -73.26 -44.54 59.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.838 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -70.43 -37.65 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.373 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -103.97 -179.69 4.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 44.6 t -106.83 116.35 50.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.6 t -146.87 118.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -121.51 -21.27 6.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 m -68.82 -41.63 78.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.146 0.498 . . . . 0.0 110.292 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 528' ' ' PRO . 14.0 m -121.35 138.67 50.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.739 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -113.36 175.82 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.43 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.82 -32.09 51.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -177.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.01 -26.47 68.26 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.521 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.1 m80 -76.0 -11.39 59.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.575 0.702 . . . . 0.0 110.471 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -106.91 124.96 50.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.449 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.3 t -135.9 132.51 36.61 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 58.7 m-85 -104.13 2.73 32.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 18.9 m -61.62 115.67 16.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.63 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.32 10.3 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.894 2.396 . . . . 0.0 111.949 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -98.54 -0.19 43.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 53.2 tpp -98.02 104.72 23.69 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.201 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -80.4 68.28 8.36 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 123.14 2.56 . . . . 0.0 112.775 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 526' ' ' ARG . 77.2 t -101.17 -70.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -96.61 -109.37 2.57 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.698 -1.239 . . . . 0.0 112.502 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 5.3 m-20 -103.45 137.17 41.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 -175.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -122.93 132.08 54.01 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.057 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 23.3 m-85 -129.86 153.69 48.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.615 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -132.16 126.66 34.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.98 124.42 26.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.039 0.447 . . . . 0.0 110.074 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -131.48 158.63 40.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.475 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.07 137.03 36.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.669 0.747 . . . . 0.0 111.384 175.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.534 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 19.0 p -129.69 164.57 39.14 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.982 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.8 Cg_endo -62.37 -10.56 19.17 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.611 2.207 . . . . 0.0 112.693 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.526 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.0 pt-20 -102.06 -12.68 17.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.101 0.476 . . . . 0.0 110.26 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 134.01 -162.26 24.46 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.549 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.54 126.99 35.25 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.545 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -141.69 152.97 44.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.524 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . 0.452 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 74.4 m95 -85.77 111.6 20.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 124.24 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.234 0.54 . . . . 0.0 110.503 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -73.53 135.28 43.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.346 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.36 143.51 27.34 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.401 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.6 m -79.07 164.76 24.05 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 174.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.419 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.63 -33.41 46.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -79.78 -24.18 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.708 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -82.03 -27.05 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.077 0.465 . . . . 0.0 110.552 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.501 ' O ' HG13 ' A' ' 618' ' ' ILE . 46.1 mt -47.4 -59.02 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.012 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.98 -29.66 82.21 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.49 2.127 . . . . 0.0 112.795 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.0 m -66.2 -39.34 89.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.197 0.522 . . . . 0.0 109.94 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.49 -38.92 68.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.806 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.8 mt -56.64 -39.03 60.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.861 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.8 mm-40 -59.78 -34.86 73.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.62 39.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.6 pt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 178.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.848 0 CA-C-O 121.352 0.596 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.458 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.53 149.77 37.78 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.333 172.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -51.53 -43.46 50.11 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.313 2.009 . . . . 0.0 112.283 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.57 -42.41 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -71.22 -33.96 70.37 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.541 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 t -74.45 -30.77 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 111.029 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 10.6 ptp180 -81.85 -15.0 55.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.676 175.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.417 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.29 -50.21 71.98 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.468 0.307 . . . . 0.0 110.973 177.264 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 48.4 Cg_exo -56.98 -37.84 97.48 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.307 2.004 . . . . 0.0 112.167 174.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 61.6 mt -65.31 -20.05 66.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.2 mt-30 -84.94 -28.48 25.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.034 0.445 . . . . 0.0 110.655 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -93.25 -24.59 18.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.294 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.81 -23.2 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.084 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.504 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 59.0 m95 -66.57 156.13 35.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 0.0 110.419 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -125.72 157.68 36.76 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.639 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.5 ttt180 -146.83 118.47 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.637 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.25 141.96 47.65 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.871 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.92 122.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.103 0.478 . . . . 0.0 110.196 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.15 118.9 37.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.219 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.4 mt -112.03 123.3 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -131.16 145.58 52.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.895 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -75.58 120.71 21.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.52 169.31 25.92 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.568 -172.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.6 t -68.06 -22.56 64.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.168 0.509 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -105.67 -51.44 3.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.6 -169.8 3.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -83.35 124.55 30.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -125.16 160.42 29.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.663 0.744 . . . . 0.0 111.803 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.43 151.44 23.69 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.433 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.1 147.92 39.31 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.514 0.674 . . . . 0.0 110.67 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -109.11 126.45 53.21 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.212 -177.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -109.24 147.84 31.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.614 0.721 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 0.639 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.2 m-85 -131.75 154.92 48.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.136 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -136.09 132.0 35.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.88 131.69 21.19 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.315 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.93 -6.87 19.78 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.758 2.305 . . . . 0.0 112.424 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 29.8 m -136.61 4.16 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.323 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -160.22 -142.54 3.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.046 -171.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.43 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.25 -177.69 2.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.279 -0.461 . . . . 0.0 110.854 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 143.72 50.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.329 0.585 . . . . 0.0 110.567 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.43 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.6 mpp? -128.35 148.82 50.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.998 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.34 12.27 3.02 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 176.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -119.0 144.79 46.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.572 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.718 ' CE1' HD12 ' A' ' 567' ' ' ILE . 11.4 t80 -57.47 -50.25 89.24 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.514 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.594 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 30.4 Cg_endo -62.55 -17.16 56.84 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.505 2.137 . . . . 0.0 112.741 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -85.53 -26.24 26.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.249 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 56.0 t -78.35 -43.37 26.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.718 HD12 ' CE1' ' A' ' 563' ' ' PHE . 10.9 mm -57.76 -33.65 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 111.378 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.594 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 16.3 ptpt -74.79 -36.98 62.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.01 -41.83 99.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.0 mt -68.37 -36.84 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.057 -178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 47.8 m -72.53 -43.4 63.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.147 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.58 -27.89 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.856 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -114.73 -177.06 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.127 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 77.2 t -107.4 117.74 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.01 0.433 . . . . 0.0 111.022 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.71 138.24 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.89 -32.72 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.731 0.3 . . . . 0.0 111.497 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 35.5 p -69.87 -41.29 75.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.5 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.74 133.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.958 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 579' ' ' ARG . 17.6 mmm180 -114.0 176.52 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -31.68 41.13 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.47 -26.33 67.82 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 43.8 m80 -79.25 -11.4 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.418 0.628 . . . . 0.0 110.804 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 1.644 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 58.6 m-85 -105.74 127.33 53.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.465 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.8 t -135.09 133.1 38.93 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.597 ' HE1' ' CE2' ' A' ' 585' ' ' PHE . 53.2 m-85 -106.32 -4.3 20.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.817 0.341 . . . . 0.0 111.577 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 23.2 m -61.45 118.24 35.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.7 173.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.07 10.08 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.881 2.387 . . . . 0.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . 0.504 ' HG2' HG21 ' A' ' 618' ' ' ILE . 60.7 mtm180 -99.13 2.06 45.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.449 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 58.1 tpp -95.37 102.72 10.35 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.131 175.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 78.4 Cg_endo -81.25 69.3 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.771 2.314 . . . . 0.0 112.618 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 525' ' ' VAL . 73.7 t -106.45 -70.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.14 -106.05 1.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 119.534 -1.317 . . . . 0.0 112.547 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -111.03 138.43 47.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.296 0.57 . . . . 0.0 110.803 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.0 m-85 -122.07 132.47 54.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.275 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 1.647 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 16.2 m-85 -130.71 154.71 47.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.597 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -131.18 127.76 38.62 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.73 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -75.48 124.02 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -132.61 158.14 42.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.08 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.8 136.43 37.35 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.36 0.6 . . . . 0.0 110.811 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.546 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 16.0 p -130.13 164.0 43.8 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.328 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.9 Cg_endo -61.05 -12.79 24.29 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.829 2.353 . . . . 0.0 112.779 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.546 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.2 pt-20 -100.06 -17.61 17.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.004 0.43 . . . . 0.0 110.402 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.58 -168.68 24.88 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.164 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.49 123.43 29.72 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.437 ' NE2' HG22 ' A' ' 600' ' ' THR . 9.0 pt20 -138.58 150.97 46.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.098 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -88.99 110.64 21.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.63 126.47 45.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -74.26 135.33 42.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.048 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.68 144.05 25.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.3 m -80.19 164.16 23.49 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.11 -32.31 46.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.209 0.318 . . . . 0.0 111.655 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.89 -31.95 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.374 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . 0.425 ' HB3' ' NH1' ' A' ' 617' ' ' ARG . 31.9 mm-40 -82.05 -27.05 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 618' ' ' ILE . 34.5 mt -46.46 -58.78 6.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 28.9 Cg_endo -62.24 -28.48 79.24 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.553 2.169 . . . . 0.0 112.692 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.7 m -67.36 -39.22 85.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.0 0.429 . . . . 0.0 110.373 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 613' ' ' GLU . 9.1 mpt_? -72.45 -38.51 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.504 HG21 ' HG2' ' A' ' 588' ' ' ARG . 58.2 mt -56.83 -38.88 61.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.48 -34.44 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.04 -44.71 37.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.0 111.025 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.567 -176.464 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.517 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -103.31 146.28 32.17 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.398 172.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.39 -43.59 56.18 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.537 2.158 . . . . 0.0 112.14 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.44 -43.3 71.49 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.411 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 13.2 mm-40 -72.02 -33.09 67.77 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.712 177.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.548 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 72.2 t -71.55 -31.78 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -80.79 -15.43 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.311 175.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.53 -49.04 80.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 122.406 0.282 . . . . 0.0 111.378 178.396 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -56.43 -37.72 96.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.378 2.052 . . . . 0.0 112.422 175.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.9 mt -64.16 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 47.6 mt-30 -77.61 -20.63 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -101.18 -26.14 13.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.79 -29.09 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.71 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 57.8 m95 -61.62 159.38 13.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -128.63 159.04 36.83 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.736 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.3 tmt_? -146.33 117.73 7.95 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.191 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -118.57 140.9 49.16 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.456 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.32 122.19 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.07 0.462 . . . . 0.0 110.027 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -104.42 120.35 41.03 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.89 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.5 mt -115.1 123.69 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 121.421 0.629 . . . . 0.0 110.944 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -131.44 149.26 52.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.17 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 28.4 tptp -74.91 121.68 22.25 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.78 166.85 23.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.974 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.5 m -70.29 -19.71 63.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.136 0.493 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.78 -50.07 3.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.544 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -153.11 -174.95 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.284 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . 0.441 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 40.6 m95 -84.29 124.63 31.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.97 147.2 50.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.968 0.89 . . . . 0.0 112.056 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -133.96 151.18 20.15 Favored Glycine 0 N--CA 1.439 -1.144 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.397 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.59 148.33 40.78 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.571 0.7 . . . . 0.0 110.43 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.0 m -105.92 125.96 51.62 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.893 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -109.68 147.8 32.49 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.7 0.762 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.668 ' HD2' ' CD1' ' A' ' 552' ' ' TYR . 17.8 m-85 -130.68 151.73 50.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.832 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -134.63 128.81 33.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.94 133.84 25.03 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.523 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.69 -6.42 18.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.48 2.12 . . . . 0.0 112.381 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.76 6.71 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.298 -176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.77 -143.2 3.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.949 -1.12 . . . . 0.0 113.333 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . 0.421 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.2 OUTLIER -79.56 -175.93 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.41 -0.395 . . . . 0.0 111.228 -176.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.62 138.75 50.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.222 0.534 . . . . 0.0 110.252 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -124.15 144.62 49.8 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.08 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -139.77 10.26 2.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.777 0.798 . . . . 0.0 110.393 177.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.46 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.6 mm100 -119.15 145.51 45.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.384 173.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.647 ' HE2' ' CE1' ' A' ' 563' ' ' PHE . 9.7 t80 -53.42 -49.37 88.74 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.363 176.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.2 Cg_endo -64.56 -14.54 45.03 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.463 2.109 . . . . 0.0 113.026 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 51.4 mt-10 -83.54 -28.9 28.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.113 0.482 . . . . 0.0 111.281 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.51 -42.62 26.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.991 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.743 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -59.57 -33.04 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.7 ptpt -74.22 -38.15 63.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.028 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.09 -42.23 97.01 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.6 mt -64.66 -36.04 82.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.875 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.5 t -73.94 -43.77 57.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.68 -20.73 60.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.791 -175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.65 175.22 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.95 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.14 116.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.3 117.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.546 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -115.65 -28.28 6.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 111.076 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.6 m -70.24 -40.84 74.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.264 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 528' ' ' PRO . 10.1 m -121.69 135.46 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.383 0.611 . . . . 0.0 112.132 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -114.14 175.94 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . 0.413 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.36 -32.19 48.07 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.46 -23.64 66.0 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.9 m80 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.332 0.587 . . . . 0.0 110.602 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 0.59 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 62.8 m-85 -107.0 127.22 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.79 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 35.0 t -135.78 133.37 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.638 ' HD2' ' CD1' ' A' ' 585' ' ' PHE . 51.4 m-85 -105.55 -5.5 20.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 49.9 m -61.67 119.55 48.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.14 10.68 1.68 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.062 2.508 . . . . 0.0 112.631 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -100.37 2.34 42.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.684 0.754 . . . . 0.0 109.213 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.455 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.9 tpp -95.81 104.79 17.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.074 176.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.68 66.67 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.076 2.517 . . . . 0.0 112.678 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' A' ' 526' ' ' ARG . 68.0 t -104.97 -72.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.22 -104.05 0.85 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.572 -1.299 . . . . 0.0 112.289 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.98 138.82 52.54 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.304 0.573 . . . . 0.0 110.565 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 10.6 m-85 -120.9 132.45 54.97 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.276 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.25 153.84 48.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 110.528 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -133.0 126.4 31.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.24 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.82 123.91 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.128 0.49 . . . . 0.0 110.08 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -132.28 156.63 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.431 -173.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.02 133.92 44.8 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.318 0.58 . . . . 0.0 111.02 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.553 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.2 p -128.3 164.65 36.23 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.393 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 27.3 Cg_endo -61.81 -10.77 18.24 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.742 2.295 . . . . 0.0 112.729 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.553 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.4 pt-20 -101.75 -17.16 16.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 110.263 176.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.88 -166.11 25.74 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.625 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.9 mt -85.8 122.21 29.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -136.57 150.09 48.42 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.252 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -87.61 110.54 20.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.25 126.81 45.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.3 0.571 . . . . 0.0 110.618 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.81 135.46 43.47 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.418 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.26 144.25 27.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.55 ' O ' HG13 ' A' ' 614' ' ' ILE . 18.0 p -78.95 168.37 19.79 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.22 -34.43 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.75 -28.95 50.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.322 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.96 -28.91 43.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.983 0.42 . . . . 0.0 110.567 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 610' ' ' SER . 42.7 mt -47.46 -58.4 7.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.305 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.6 Cg_endo -60.57 -31.22 92.02 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.746 2.298 . . . . 0.0 113.015 -175.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.2 t -66.38 -39.01 88.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -72.64 -39.23 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.931 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.5 mt -56.71 -38.43 57.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.2 mm-40 -60.23 -35.35 75.26 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.13 -44.6 46.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.078 0.466 . . . . 0.0 111.201 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.2 pt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.344 -176.447 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' THR . . . . . 0.474 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -102.52 145.35 30.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.261 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 -43.28 58.57 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.65 2.233 . . . . 0.0 112.48 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.53 -40.59 75.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.499 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -72.04 -33.31 67.89 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.381 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 521' ' ' THR . 80.0 t -72.91 -30.21 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' ARG . . . . . 0.468 ' HB3' HG11 ' A' ' 591' ' ' VAL . 13.2 ptp180 -82.08 -16.95 48.28 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.29 -0.257 . . . . 0.0 110.972 175.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.06 -53.95 33.41 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.605 0.362 . . . . 0.0 111.682 178.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' PRO . . . . . 0.502 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.1 Cg_endo -60.28 -30.04 90.25 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.373 2.049 . . . . 0.0 112.602 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 38.9 mt -65.53 -21.28 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.347 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -90.3 -7.1 54.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -127.75 56.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 85.02 -47.88 3.94 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.881 . . . . 0.0 114.023 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' TRP . . . . . 0.467 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 75.0 m95 -58.9 156.44 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.0 111.866 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -131.32 160.92 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.742 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.1 tmt_? -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.466 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.71 141.05 48.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.622 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 66.1 t -117.9 123.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.193 0.52 . . . . 0.0 110.271 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -105.03 118.86 37.61 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.541 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 50.1 mt -110.07 123.47 66.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.27 0.557 . . . . 0.0 110.223 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.85 144.39 51.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.578 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -71.27 123.61 22.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -92.98 166.87 28.96 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.684 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.1 m -69.41 -24.7 63.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 110.677 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -109.01 -48.26 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -147.87 -172.1 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.445 0.641 . . . . 0.0 111.437 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -85.68 125.36 33.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.841 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.14 159.76 33.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.389 0.614 . . . . 0.0 111.716 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -143.76 151.97 23.79 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.208 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.473 0.654 . . . . 0.0 110.151 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 44.2 m -108.49 125.68 52.07 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.881 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -109.34 148.01 31.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.787 0.803 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 552' ' ' TYR . 15.5 m-85 -130.74 153.51 48.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.333 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' TYR . . . . . 1.64 ' HD1' ' CD2' ' A' ' 553' ' ' TYR . 36.5 m-85 -135.56 129.9 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.363 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.3 130.83 24.29 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.76 -7.2 20.39 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.653 2.235 . . . . 0.0 112.595 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 73.8 m -139.23 6.57 2.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.956 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.4 -142.62 3.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.802 -1.189 . . . . 0.0 113.174 -170.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -176.4 5.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.153 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.32 54.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.303 0.573 . . . . 0.0 110.673 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -123.4 147.26 47.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 8.16 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.587 0.708 . . . . 0.0 109.396 175.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.473 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -120.36 145.7 46.89 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.857 177.458 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 563' ' ' PHE . 18.1 t80 -56.18 -50.71 85.94 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.06 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 45.6 Cg_endo -66.34 -12.12 34.3 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.196 1.931 . . . . 0.0 112.365 -178.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -87.13 -26.57 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 111.361 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 49.0 t -77.89 -45.24 28.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.688 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.754 HD12 ' CE1' ' A' ' 563' ' ' PHE . 6.8 mm -58.15 -32.29 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.9 ptpt -74.05 -37.34 64.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.862 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.83 -40.68 97.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.415 . . . . 0.0 109.941 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.6 mt -66.52 -34.71 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.4 t -72.95 -43.65 62.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 52.0 mtp85 -73.68 -19.72 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 -175.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -121.93 -175.53 3.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.3 t -114.48 118.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.08 120.03 28.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -109.77 -34.79 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.465 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 37.5 m -71.44 -42.88 67.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 528' ' ' PRO . 13.4 m -121.41 138.33 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -113.15 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -32.15 55.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.5 -29.38 66.22 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' HIS . . . . . 0.502 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.1 m80 -76.02 -11.54 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.308 0.575 . . . . 0.0 110.957 -177.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' PHE . . . . . 0.456 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 44.1 m-85 -106.1 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.455 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 42.4 t -135.3 132.72 38.07 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' PHE . . . . . 1.61 ' HD2' ' CD1' ' A' ' 585' ' ' PHE . 51.4 m-85 -103.18 -4.62 24.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.661 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 15.1 m -61.93 116.68 22.88 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.76 10.49 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.95 2.434 . . . . 0.0 112.204 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -100.82 3.14 41.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 53.2 tpp -100.11 101.31 13.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.055 174.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' PRO . . . . . 0.465 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 96.5 Cg_endo -79.45 74.14 5.69 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.753 2.302 . . . . 0.0 112.482 -177.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.468 HG11 ' HB3' ' A' ' 526' ' ' ARG . 74.6 t -109.14 -69.29 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -91.25 -102.5 1.29 Allowed Glycine 0 CA--C 1.506 -0.511 0 C-N-CA 119.482 -1.342 . . . . 0.0 112.73 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 22.9 m-20 -111.3 135.61 51.59 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' PHE . . . . . 1.62 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 12.8 m-85 -122.36 131.52 53.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.989 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 16.7 m-85 -131.5 154.92 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 4.4 pt-20 -131.63 131.21 43.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.78 122.96 24.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -134.51 158.29 44.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.6 -173.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -96.33 139.95 31.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.184 0.516 . . . . 0.0 110.835 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' THR . . . . . 0.539 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.3 p -135.25 163.18 52.86 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.477 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.61 -11.36 19.96 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.027 2.484 . . . . 0.0 112.831 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.539 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.3 pt-20 -101.26 -16.89 16.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.604 175.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.47 -172.16 23.14 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.558 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.9 mt -78.69 119.35 21.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.408 0.623 . . . . 0.0 110.712 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' GLN . . . . . 0.404 ' NE2' HG22 ' A' ' 600' ' ' THR . 9.2 pt20 -136.0 150.76 49.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.876 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -89.36 111.11 21.87 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.9 t -92.64 130.28 41.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.163 0.506 . . . . 0.0 110.23 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -73.74 135.14 43.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.747 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 56.2 mt -94.18 142.31 27.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' SER . . . . . 0.521 ' O ' HG13 ' A' ' 614' ' ' ILE . 8.8 p -78.98 166.75 22.01 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -51.89 -35.52 45.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.48 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.98 -29.2 55.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . 0.486 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 39.7 mt-10 -78.32 -32.64 49.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.484 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 610' ' ' SER . 52.5 mt -46.9 -58.37 7.16 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.107 -0.952 . . . . 0.0 113.161 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.537 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 22.6 Cg_endo -61.08 -29.46 87.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.573 2.182 . . . . 0.0 112.695 -176.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 36.9 t -65.98 -40.12 90.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.15 -39.31 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.539 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 614' ' ' ILE . 60.4 mt -56.67 -42.29 76.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.1 mm-40 -56.27 -33.89 65.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.03 -42.28 21.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.934 0.397 . . . . 0.0 110.747 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 618' ' ' ILE . 34.6 pt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.448 0.642 . . . . 0.0 109.885 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . 0.529 ' H3 ' ' HD2' ' A' ' 516' ' ' ARG . 9.6 mpt_? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.782 0.325 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.9 -31.59 66.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.635 0.731 . . . . 0.0 110.031 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -121.59 118.52 29.43 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.204 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.05 134.34 29.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -104.56 149.32 25.6 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.071 0.462 . . . . 0.0 111.052 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.45 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.6 OUTLIER -98.4 153.69 37.91 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.114 174.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.96 -40.74 75.1 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.484 2.123 . . . . 0.0 111.538 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.45 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.0 pt-20 -59.32 -39.53 83.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.609 178.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -71.15 -33.49 70.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.252 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.586 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 83.8 t -74.98 -30.05 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.618 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 7.9 ptm180 -79.95 -15.61 56.92 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.215 -0.303 . . . . 0.0 110.843 174.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.95 -50.3 69.38 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 122.565 0.346 . . . . 0.0 111.081 176.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.586 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.7 Cg_exo -55.61 -38.97 93.63 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.468 2.112 . . . . 0.0 112.256 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 59.4 mt -65.67 -25.83 67.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.47 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 58.7 mt-30 -77.79 -24.48 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.636 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -101.12 -25.58 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.09 -24.61 0.61 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 119.756 -1.212 . . . . 0.0 113.31 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 52.2 m95 -68.61 159.45 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.688 0.28 . . . . 0.0 110.366 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -133.96 157.05 47.02 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.506 ' CZ ' ' H ' ' A' ' 592' ' ' GLY . 0.0 OUTLIER -147.21 121.75 9.76 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 121.452 0.644 . . . . 0.0 111.184 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -115.46 142.56 46.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.251 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 535' ' ' ARG . 91.5 t -117.6 123.28 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.335 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 22.6 mmt180 -102.39 120.07 39.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.023 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.0 mt -113.63 122.76 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.454 0.645 . . . . 0.0 110.427 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -128.92 146.06 51.05 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.78 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -78.43 125.0 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.224 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.23 168.48 28.45 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.539 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -71.54 -22.56 61.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 110.272 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -108.62 -52.56 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -139.78 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.067 -168.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.5 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.9 m95 -83.0 125.0 30.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.262 173.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.81 161.23 29.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.602 0.715 . . . . 0.0 111.959 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -155.33 151.35 22.94 Favored Glycine 0 N--CA 1.439 -1.123 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.95 149.91 45.29 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.778 0.799 . . . . 0.0 111.082 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 76.3 m -106.51 126.67 52.55 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.734 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -108.97 149.25 29.49 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.634 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 1.1 m-85 -132.0 152.01 51.39 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.717 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -134.56 129.16 34.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.351 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.85 131.13 25.64 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.479 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.46 -7.24 20.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.541 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 38.3 t -140.63 5.78 2.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.582 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.47 -146.0 4.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.282 -170.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -175.87 3.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.149 -0.526 . . . . 0.0 111.164 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.12 142.21 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.21 0.529 . . . . 0.0 110.714 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.503 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.5 mpp? -127.04 147.62 50.14 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.966 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 6.38 2.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.575 0.702 . . . . 0.0 110.014 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.446 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.0 mm100 -113.75 145.68 41.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.9 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.661 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 11.0 t80 -57.29 -49.22 95.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.327 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 38.0 Cg_endo -64.47 -13.92 41.3 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.387 2.058 . . . . 0.0 112.678 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 37.1 mt-10 -83.48 -28.14 28.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 111.18 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.547 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 60.0 t -79.02 -44.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.637 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.676 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.92 -33.64 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.208 0.528 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.557 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -73.83 -37.42 64.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.722 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.662 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 34.0 t80 -62.47 -41.76 99.01 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.9 mt -66.89 -38.11 85.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.354 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -72.05 -29.85 64.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.309 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 56.6 mtp180 -86.93 -36.01 18.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.637 -176.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -108.53 169.98 8.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.98 116.81 33.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.998 0.428 . . . . 0.0 109.998 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.53 127.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -128.3 -22.43 3.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.338 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 23.8 p -73.43 -44.28 58.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 111.077 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.3 m -122.46 136.3 59.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.161 -178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -113.93 176.92 4.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -32.04 48.43 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.99 -29.7 69.84 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.493 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 46.6 m80 -73.73 -10.94 60.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.682 0.753 . . . . 0.0 110.503 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -107.89 125.44 51.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.592 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 31.0 m -136.75 132.88 35.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.507 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.5 m-85 -103.23 0.87 32.21 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.69 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 35.2 m -61.14 119.69 47.91 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 173.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . 0.416 ' HB2' HD11 ' A' ' 621' ' ' ILE . 96.7 Cg_endo -74.2 10.17 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.688 2.259 . . . . 0.0 112.125 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 58.1 mtm180 -99.14 1.59 45.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.487 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 59.0 tpp -92.98 105.04 13.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 84.1 Cg_endo -82.3 60.76 7.49 Favored 'Trans proline' 0 N--CA 1.466 -0.118 0 C-N-CA 123.315 2.677 . . . . 0.0 113.043 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 525' ' ' VAL . 80.9 t -101.77 -71.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . 0.506 ' H ' ' CZ ' ' A' ' 535' ' ' ARG . . . -92.4 -115.9 2.25 Favored Glycine 0 CA--C 1.504 -0.65 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.051 -174.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.25 139.21 39.0 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.444 0.64 . . . . 0.0 111.258 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 132.53 55.24 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.014 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.06 153.61 48.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.702 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -131.9 125.3 31.35 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.81 123.87 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.239 0.543 . . . . 0.0 109.839 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -134.98 157.32 47.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.417 -173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -100.23 136.87 39.46 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.551 0.691 . . . . 0.0 110.974 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.1 p -131.0 164.66 40.63 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.149 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.32 -11.45 19.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.63 2.22 . . . . 0.0 112.769 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.5 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.0 pt-20 -99.87 -17.89 17.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.496 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.74 -170.27 24.04 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.768 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.8 mt -80.74 120.93 25.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.23 0.538 . . . . 0.0 110.11 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.446 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.1 pt20 -135.43 149.31 49.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.67 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . 0.401 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.4 m95 -87.52 110.79 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.39 128.6 44.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.459 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.51 135.61 42.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.458 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 32.5 mt -96.18 141.22 29.8 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.492 ' OG ' ' HG3' ' A' ' 613' ' ' GLU . 10.3 p -78.34 165.93 23.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.426 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -51.29 -35.67 38.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 122.597 0.359 . . . . 0.0 111.141 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.03 -32.61 69.41 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . 0.492 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 42.0 mt-10 -81.07 -28.91 35.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.906 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 610' ' ' SER . 42.5 mt -47.58 -58.87 6.56 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 30.3 Cg_endo -63.33 -27.38 71.55 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.396 2.064 . . . . 0.0 112.614 -175.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.5 m -67.93 -40.65 83.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 110.113 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -72.22 -39.07 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.809 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.478 ' O ' ' HB ' ' A' ' 622' ' ' THR . 61.5 mt -56.23 -38.01 52.54 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.873 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 34.4 mm-40 -59.49 -34.85 73.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.07 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.24 27.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 587' ' ' PRO . 40.4 pt -86.62 -1.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.322 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.478 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 3.7 t -61.17 145.36 51.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.188 0.518 . . . . 0.0 111.029 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -164.71 104.1 0.22 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.85 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.738 177.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.77 124.26 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.334 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -112.44 115.48 28.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 5.3 mt -92.35 146.11 6.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.865 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -98.36 151.47 20.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.346 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.455 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.4 OUTLIER -99.06 146.32 31.5 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.43 -41.98 63.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.71 -39.05 79.66 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.542 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.42 -32.84 66.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.518 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 75.7 t -72.79 -31.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 37.8 ptt180 -80.83 -15.95 55.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.718 175.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.44 -49.22 83.56 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 122.621 0.369 . . . . 0.0 111.212 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.2 Cg_exo -55.52 -38.62 93.88 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.246 1.964 . . . . 0.0 111.993 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 26.4 mt -66.07 -23.1 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.245 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 28.7 mt-30 -87.3 -9.91 53.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -108.74 -25.96 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.42 -22.89 1.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.006 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.414 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 45.9 m95 -67.23 161.41 24.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.634 0.254 . . . . 0.0 110.335 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.77 160.3 31.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.608 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.92 119.1 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.477 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -113.47 142.54 45.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.148 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.9 116.15 51.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -104.67 118.27 36.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.913 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 42.1 mt -112.25 123.24 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.45 0.643 . . . . 0.0 110.555 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -129.18 149.43 50.99 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.804 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.467 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -72.88 129.37 38.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -99.49 167.89 21.47 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.772 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.9 m -71.97 -15.76 62.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.1 -57.01 2.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -144.21 -169.68 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.149 0.499 . . . . 0.0 110.892 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.467 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 38.7 m95 -86.5 123.99 32.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.418 172.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -126.6 151.07 48.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.671 0.748 . . . . 0.0 112.098 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.18 21.62 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.896 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -137.93 148.21 45.07 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.279 0.561 . . . . 0.0 110.205 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.2 m -105.9 125.6 51.19 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.819 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -108.47 146.36 33.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.65 0.738 . . . . 0.0 110.297 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 14.6 m-85 -129.29 150.02 50.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.206 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.663 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 40.1 m-85 -134.4 132.32 39.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -64.63 141.21 43.68 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.323 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -52.3 -29.91 40.36 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.131 2.554 . . . . 0.0 113.554 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 16.0 p -141.14 -22.77 0.76 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.635 0.255 . . . . 0.0 111.365 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -82.88 -147.53 7.0 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.731 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -179.48 6.88 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.418 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.28 140.37 49.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.367 0.603 . . . . 0.0 110.828 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -126.47 145.2 50.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.461 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 13.62 2.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.685 0.755 . . . . 0.0 109.992 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.49 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.1 mm100 -123.7 145.28 49.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.584 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.755 ' CE1' HD12 ' A' ' 567' ' ' ILE . 11.3 t80 -56.8 -50.49 87.71 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.553 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 39.0 Cg_endo -64.89 -15.07 48.54 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.246 1.964 . . . . 0.0 112.794 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 24.2 mm-40 -85.65 -26.6 25.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.205 0.526 . . . . 0.0 111.07 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.564 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.2 t -78.56 -42.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 563' ' ' PHE . 10.2 mm -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 121.111 0.482 . . . . 0.0 111.398 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.6 ptpt -74.01 -37.18 64.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.206 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.15 -45.12 94.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.112 0.482 . . . . 0.0 109.863 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.1 mt -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.632 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 15.8 t -73.43 -34.53 65.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.911 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.9 mtp180 -83.82 -39.13 20.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.533 -176.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -105.61 168.56 9.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.79 115.87 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.011 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 578' ' ' VAL . 24.5 t -146.48 104.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.813 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -113.86 -19.18 11.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.649 0.261 . . . . 0.0 111.456 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 20.1 m -69.25 -41.77 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.164 0.507 . . . . 0.0 110.211 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 528' ' ' PRO . 12.2 m -121.82 134.86 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.562 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -113.52 175.58 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.416 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.34 -31.87 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.06 -29.17 70.11 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.8 m80 -74.1 -11.78 60.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.516 0.674 . . . . 0.0 110.765 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 0.573 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 63.6 m-85 -106.17 127.19 53.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.242 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -134.97 132.93 38.97 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.427 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.2 m-85 -105.1 -4.7 21.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 111.621 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 50.3 m -61.86 117.34 27.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -75.1 11.27 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.645 2.23 . . . . 0.0 112.478 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -95.51 -0.38 52.24 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 60.4 tpp -97.49 104.2 19.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.322 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 86.3 Cg_endo -82.16 71.41 6.64 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.907 2.404 . . . . 0.0 112.558 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 589' ' ' MET . 78.4 t -106.98 -72.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.75 -101.65 0.63 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 119.747 -1.216 . . . . 0.0 112.886 -170.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.91 139.05 53.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.093 0.473 . . . . 0.0 110.156 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 13.7 m-85 -121.53 132.18 54.55 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.236 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 11.0 m-85 -130.78 153.77 48.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.469 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.415 ' HB2' HD12 ' A' ' 609' ' ' LEU . 15.3 tt0 -131.47 127.2 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.97 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.53 124.36 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -133.62 157.92 44.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.358 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -99.51 136.85 38.84 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.478 0.656 . . . . 0.0 111.021 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.542 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.4 p -131.27 164.57 41.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.29 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.6 Cg_endo -61.82 -11.12 19.53 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.776 2.317 . . . . 0.0 112.768 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.509 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -102.33 -16.77 16.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.964 0.411 . . . . 0.0 110.287 175.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.52 -166.16 25.62 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.685 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.9 mt -84.64 119.32 25.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.31 0.576 . . . . 0.0 110.396 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.494 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.1 pt20 -133.69 146.92 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.77 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -89.21 110.35 21.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 31.5 t -92.7 127.58 44.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.107 0.48 . . . . 0.0 110.288 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.83 134.58 43.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.848 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 596' ' ' GLU . 28.9 mt -95.99 142.02 28.71 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.46 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -77.91 165.89 23.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.28 -34.98 48.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.035 0.209 . . . . 0.0 111.482 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.49 -28.72 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.53 -28.97 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 618' ' ' ILE . 48.3 mt -47.95 -58.6 7.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.927 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.475 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.83 -28.97 82.12 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.433 2.089 . . . . 0.0 112.606 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -39.68 89.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.308 0.575 . . . . 0.0 109.762 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.93 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.909 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.548 ' O ' ' HB ' ' A' ' 622' ' ' THR . 55.5 mt -56.45 -38.1 54.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.555 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 92.9 mm-40 -61.72 -33.97 74.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.89 53.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.7 pt -84.18 -5.56 9.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.371 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.548 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.0 t -69.08 151.81 45.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.072 0.463 . . . . 0.0 110.669 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -161.28 109.07 0.38 Allowed Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.59 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.74 -179.636 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.717 0.294 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -86.42 157.92 19.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.643 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -79.39 109.44 13.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.6 mt -106.45 137.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.916 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -111.44 150.0 30.48 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.251 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.31 146.84 33.36 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.049 175.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.33 -42.66 66.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.841 2.36 . . . . 0.0 112.316 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.14 -41.8 72.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.7 -34.49 69.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.503 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.53 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 86.2 t -70.85 -31.33 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.4 ptp180 -81.55 -15.45 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.271 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -49.8 76.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 122.366 0.267 . . . . 0.0 111.287 178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.8 Cg_exo -56.84 -37.13 98.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.405 2.07 . . . . 0.0 112.427 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -64.1 -27.88 69.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.115 0.483 . . . . 0.0 110.545 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 42.5 mt-30 -77.76 -24.36 49.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.585 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -99.64 -23.98 14.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.61 -22.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 119.733 -1.222 . . . . 0.0 112.831 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.483 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 63.8 m95 -66.67 158.87 28.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -129.52 160.88 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.662 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.8 ttt180 -144.96 118.43 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.991 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -118.09 141.02 48.92 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.255 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.1 t -117.28 123.37 71.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.247 0.546 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . 0.426 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 71.3 mtt180 -103.09 121.59 42.93 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.125 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.55 122.92 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 121.533 0.683 . . . . 0.0 110.247 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.57 144.76 51.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.812 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.4 tptm -75.01 127.51 33.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.057 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.38 168.48 17.64 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.914 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -29.71 68.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.091 0.472 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -98.69 -46.49 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -153.42 -174.57 4.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.358 0.599 . . . . 0.0 111.274 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.419 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.1 m95 -86.46 124.81 33.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.083 172.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -127.64 158.76 36.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.689 0.757 . . . . 0.0 111.894 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.28 151.4 23.65 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.939 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -136.93 146.56 45.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.504 0.669 . . . . 0.0 110.486 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 52.6 m -109.15 125.71 52.47 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -108.71 148.15 30.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.737 0.779 . . . . 0.0 110.579 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.579 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 17.4 m-85 -131.42 153.81 49.31 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.177 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.47 129.46 33.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.488 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.33 134.41 31.03 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.838 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.65 -7.29 20.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.895 2.396 . . . . 0.0 112.673 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.48 3.52 2.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.369 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.18 -141.93 3.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.773 -1.204 . . . . 0.0 113.021 -167.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -176.45 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.506 . . . . 0.0 111.039 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.26 142.51 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.161 0.505 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.789 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 12.87 3.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.834 0.826 . . . . 0.0 109.553 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -127.98 145.78 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.689 -1.142 . . . . 0.0 109.76 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 563' ' ' PHE . 30.3 t80 -55.7 -49.94 89.88 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.993 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.616 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 32.8 Cg_endo -64.0 -15.99 52.33 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.176 1.918 . . . . 0.0 112.289 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -86.05 -26.95 25.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.215 0.531 . . . . 0.0 111.003 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.577 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 50.5 t -77.41 -46.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.756 HD12 ' CE1' ' A' ' 563' ' ' PHE . 6.0 mm -57.25 -33.0 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.022 0.439 . . . . 0.0 111.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.616 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.5 ptpt -74.4 -37.12 63.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.774 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.646 ' HE2' ' CE1' ' A' ' 569' ' ' TYR . 47.1 t80 -64.47 -40.82 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.5 mt -66.8 -35.21 79.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.325 0.583 . . . . 0.0 110.08 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 44.9 m -73.5 -44.07 58.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.415 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -81.02 -41.12 23.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.814 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 573' ' ' ASN . 0.9 OUTLIER -97.22 177.36 5.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.94 118.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.863 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.9 129.17 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.582 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -125.33 -26.06 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 38.4 m -78.25 -39.11 41.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.127 0.489 . . . . 0.0 111.699 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.77 139.75 47.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.932 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -112.93 175.2 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.435 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.5 -32.4 39.94 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.12 -28.53 67.94 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.4 m80 -75.77 -11.53 60.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.646 . . . . 0.0 110.866 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 0.568 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 57.7 m-85 -106.35 125.97 51.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.373 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 38.2 t -135.43 133.23 38.41 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.54 -2.85 24.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.877 0.37 . . . . 0.0 111.477 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.4 m -61.15 116.82 21.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.047 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.96 9.93 2.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.973 2.449 . . . . 0.0 112.182 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 81.7 mtp180 -97.41 0.87 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 52.7 tpp -97.15 101.77 10.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.253 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 72.1 Cg_endo -80.51 74.51 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.597 2.198 . . . . 0.0 112.144 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 525' ' ' VAL . 75.3 t -109.74 -72.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.84 -98.16 0.67 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 119.551 -1.309 . . . . 0.0 112.721 -171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -125.82 140.12 52.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.473 0.654 . . . . 0.0 111.137 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.665 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 13.9 m-85 -121.83 131.97 54.34 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.212 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.672 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 18.1 m-85 -129.36 152.89 48.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -130.13 125.25 34.62 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.81 120.81 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -133.74 158.09 44.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.122 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -100.73 133.35 45.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.529 0.681 . . . . 0.0 110.821 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.553 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.3 p -128.13 164.73 35.4 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.146 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 28.0 Cg_endo -62.69 -12.6 29.38 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.585 2.19 . . . . 0.0 112.93 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.553 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.52 -17.43 19.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 173.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.44 -163.31 25.45 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 119.898 -1.144 . . . . 0.0 113.869 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 62.4 mt -87.5 117.49 26.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.333 0.587 . . . . 0.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -135.3 153.34 51.91 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.365 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . 0.426 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 59.6 m95 -87.43 110.64 20.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.5 127.33 44.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.279 0.561 . . . . 0.0 110.437 -176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.12 135.12 44.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.944 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 41.7 mt -95.56 143.62 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.4 ' O ' HG13 ' A' ' 614' ' ' ILE . 13.6 m -78.12 164.32 25.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.76 48.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.82 -23.81 44.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.98 -31.55 39.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 110.355 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 618' ' ' ILE . 50.8 mt -47.73 -58.66 7.14 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.027 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.649 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.5 Cg_endo -60.89 -30.12 89.43 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.588 2.192 . . . . 0.0 112.73 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 40.3 t -65.17 -40.88 94.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.22 0.533 . . . . 0.0 109.851 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -71.63 -38.21 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.454 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 614' ' ' ILE . 59.2 mt -56.57 -38.0 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.94 176.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -62.13 -34.9 77.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.622 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.81 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.089 0.471 . . . . 0.0 110.842 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt -84.06 -1.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.02 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 4.1 t -60.58 -20.9 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 94.41 86.09 1.65 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.565 -0.826 . . . . 0.0 113.033 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.625 -0.703 . . . . 0.0 109.589 175.57 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -83.0 159.76 22.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.37 122.07 34.47 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.19 142.65 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.186 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -103.92 146.64 28.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.29 0.567 . . . . 0.0 111.178 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -98.42 149.23 35.53 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.254 174.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.56 -40.59 78.47 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.5 -39.6 84.36 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.718 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 24.1 mm-40 -72.72 -31.18 64.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 111.228 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 521' ' ' THR . 65.7 t -73.53 -31.15 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.296 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.543 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.8 ptp180 -81.54 -15.0 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.17 -0.332 . . . . 0.0 111.344 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.07 -52.93 43.42 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.699 0.4 . . . . 0.0 111.6 177.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.3 Cg_endo -61.49 -30.37 86.46 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.299 1.999 . . . . 0.0 112.559 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 62.9 mt -65.74 -27.15 68.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.47 . . . . 0.0 110.04 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 44.4 mt-30 -77.61 -23.6 49.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.452 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -96.83 -25.35 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.49 -25.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 119.765 -1.207 . . . . 0.0 113.138 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.516 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 57.5 m95 -64.33 158.22 24.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.667 0.233 . . . . 0.0 110.541 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -130.74 159.39 37.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.636 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.2 ttt180 -148.67 119.56 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.377 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -116.15 143.25 45.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.984 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 54.2 t -117.09 119.91 63.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.139 0.495 . . . . 0.0 109.8 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -103.25 118.47 36.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.997 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.35 123.13 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.445 0.64 . . . . 0.0 110.492 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.06 149.44 50.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.062 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.409 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.7 tptm -77.25 129.24 35.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 173.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -105.28 169.24 16.22 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.802 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -69.74 -24.21 63.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.918 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -95.18 -57.86 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.521 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -154.01 -169.28 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 111.173 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.409 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.0 m95 -84.62 125.14 32.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.502 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -127.42 160.81 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.503 0.668 . . . . 0.0 111.832 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.79 151.16 23.37 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.531 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.23 147.94 44.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.328 0.585 . . . . 0.0 110.429 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 57.2 m -107.63 125.94 51.96 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 -177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -109.72 148.12 31.97 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.53 0.681 . . . . 0.0 110.336 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.619 ' HE1' ' CE2' ' A' ' 552' ' ' TYR . 13.4 m-85 -129.7 150.78 50.87 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.396 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 17.2 m-85 -134.48 131.63 38.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.26 46.79 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.67 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.06 -29.37 54.87 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.073 2.515 . . . . 0.0 112.316 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 5.5 p -143.86 -24.27 0.56 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -79.73 -152.21 7.23 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.912 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.468 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.74 -177.72 2.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.323 -0.438 . . . . 0.0 111.142 -176.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.91 139.08 51.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.177 0.513 . . . . 0.0 110.546 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.468 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.7 mpp? -126.44 147.17 49.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.572 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 8.76 3.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.68 0.752 . . . . 0.0 109.629 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.504 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.0 mm100 -119.2 144.74 46.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.493 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.701 ' CE1' HD12 ' A' ' 567' ' ' ILE . 24.5 t80 -59.16 -49.88 90.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.56 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.4 Cg_endo -63.4 -13.95 39.23 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.245 1.963 . . . . 0.0 112.474 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.504 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 14.6 mm-40 -89.42 -25.38 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.27 0.557 . . . . 0.0 110.846 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 43.6 t -77.74 -44.94 28.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.496 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.701 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -56.87 -32.23 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.547 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.505 ' HB3' ' HZ1' ' A' ' 568' ' ' LYS . 1.0 OUTLIER -73.75 -38.3 64.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.039 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.96 -42.86 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.6 mt -68.5 -39.32 81.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.407 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.9 m -72.88 -38.0 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.893 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 76.8 mtp180 -75.9 -24.73 55.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.954 0.407 . . . . 0.0 111.079 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -117.37 -168.72 1.53 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.096 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 56.5 t -119.28 117.2 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 32.9 t -138.86 119.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -111.07 -33.68 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 49.7 m -68.36 -41.13 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.958 0.409 . . . . 0.0 111.096 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 528' ' ' PRO . 11.6 m -121.61 136.01 59.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.371 0.605 . . . . 0.0 112.143 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.02 175.66 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -31.89 55.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 41.6 m80 -74.2 -11.21 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.508 0.67 . . . . 0.0 110.688 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.644 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 40.4 m-85 -108.76 124.27 50.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.252 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.8 m -135.71 132.51 36.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.2 m-85 -101.75 -4.02 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.4 116.78 21.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.13 10.75 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.001 2.467 . . . . 0.0 112.745 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 70.6 mtt180 -96.06 -1.48 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 57.2 tpp -95.18 104.83 16.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.169 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 83.9 Cg_endo -82.18 67.47 8.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 123.123 2.549 . . . . 0.0 112.758 -176.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 526' ' ' ARG . 74.5 t -104.81 -70.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.94 -99.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.474 -1.346 . . . . 0.0 112.483 -173.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -123.71 141.82 51.65 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.301 0.572 . . . . 0.0 110.867 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.666 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 12.1 m-85 -121.99 132.27 54.44 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.122 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.656 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 19.3 m-85 -130.39 155.17 46.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.975 0.417 . . . . 0.0 110.512 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -132.14 127.31 35.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.999 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -74.29 122.39 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -134.99 157.16 47.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.33 139.37 36.09 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.328 0.585 . . . . 0.0 110.777 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 24.2 p -133.35 164.84 41.13 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.442 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 18.8 Cg_endo -59.77 -13.9 24.38 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.918 2.412 . . . . 0.0 112.76 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.595 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.78 -19.14 18.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.842 0.353 . . . . 0.0 110.45 174.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.97 -165.46 25.38 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 119.878 -1.153 . . . . 0.0 113.719 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.83 118.32 23.33 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.575 0.702 . . . . 0.0 110.32 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.456 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.2 pt20 -134.25 148.46 50.83 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.682 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -88.5 110.17 20.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.99 126.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.0 110.604 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -73.31 134.53 44.2 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.829 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.7 mt -94.59 142.28 27.63 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.2 m -82.73 164.88 20.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.14 -32.73 36.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.63 -34.28 73.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.744 0.307 . . . . 0.0 111.296 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.0 -26.99 33.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.691 0.281 . . . . 0.0 111.164 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 618' ' ' ILE . 28.2 mt -46.88 -58.59 6.68 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.526 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.0 Cg_endo -60.56 -33.74 93.34 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.545 2.163 . . . . 0.0 112.562 -175.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.3 m -63.51 -40.33 96.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.09 -39.5 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 614' ' ' ILE . 54.5 mt -56.66 -40.9 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.82 -32.91 71.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.6 25.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.156 0.503 . . . . 0.0 110.781 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.06 -2.76 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.628 0.727 . . . . 0.0 110.124 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.51 145.95 31.58 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.299 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 115.53 -18.08 15.63 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.406 175.403 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.98 133.49 35.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.679 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -84.18 122.73 29.26 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.51 132.91 67.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.58 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -94.25 152.47 18.67 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.91 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.471 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.12 141.61 22.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.23 173.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -51.96 -43.38 52.59 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.31 -42.36 73.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.421 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.95 -31.51 64.63 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.449 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.509 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 96.9 t -69.47 -30.08 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.341 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.35 -14.68 52.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.642 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -49.35 86.35 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.5 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.509 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 35.1 Cg_exo -58.41 -35.89 98.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.179 1.92 . . . . 0.0 112.187 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.4 mt -65.57 -21.53 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.686 -177.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 40.4 mt-30 -84.13 -20.44 32.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.51 -21.83 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 148.17 -25.49 1.41 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.915 -1.136 . . . . 0.0 112.703 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.46 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 65.6 m95 -61.97 157.21 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -129.62 160.97 31.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.696 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 6.7 ttt180 -143.84 118.29 9.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.062 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -116.19 137.42 52.15 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.54 121.09 66.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.105 0.478 . . . . 0.0 109.81 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . 0.521 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.67 118.35 36.35 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.231 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.0 mt -111.31 123.39 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.349 0.595 . . . . 0.0 110.153 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -130.03 144.41 51.32 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.967 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -81.65 126.83 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.409 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.59 168.03 19.28 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.115 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.8 t -72.16 -16.47 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.2 -49.36 3.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -151.91 177.4 10.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.504 0.669 . . . . 0.0 111.829 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 46.8 m95 -85.15 124.84 32.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.397 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.38 164.27 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.561 0.696 . . . . 0.0 111.327 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.27 22.98 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.604 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.44 148.29 44.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.767 0.794 . . . . 0.0 110.772 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 80.0 m -106.87 125.91 51.62 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.167 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.472 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 9.5 m95 -110.44 148.09 32.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.388 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.611 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 14.7 m-85 -133.6 154.09 51.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.233 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.68 133.47 38.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -62.52 141.46 46.97 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.259 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.2 -29.15 55.31 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.13 2.553 . . . . 0.0 112.593 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.41 -24.89 0.59 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.843 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -80.05 -147.24 4.54 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.817 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.558 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -81.96 -177.47 6.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.207 0.527 . . . . 0.0 112.05 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.472 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 39.2 ttp180 -109.71 133.39 53.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.709 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.558 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.4 mpp? -126.9 144.92 50.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.227 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -138.32 11.98 2.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.815 0.817 . . . . 0.0 109.791 177.192 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.443 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.2 mm100 -118.46 145.52 45.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.219 175.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.73 ' CE1' HD12 ' A' ' 567' ' ' ILE . 12.2 t80 -57.75 -50.23 89.32 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.458 178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.566 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 43.0 Cg_endo -65.6 -11.89 32.58 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.452 2.101 . . . . 0.0 112.597 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 59.0 mm-40 -88.05 -27.12 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.257 0.551 . . . . 0.0 111.133 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.3 t -77.93 -43.05 28.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.73 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -58.88 -32.43 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.19 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.566 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.84 -37.23 62.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.157 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.43 -43.51 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -63.11 -43.11 99.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 53.0 m -73.46 -39.17 65.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.25 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.88 -16.36 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.706 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -123.33 -173.22 2.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.93 118.19 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 110.45 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.7 t -137.98 138.18 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -129.4 -25.87 2.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 13.4 p -91.73 -40.99 10.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.174 0.511 . . . . 0.0 112.241 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.1 138.18 47.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -112.2 172.6 6.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.402 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -54.94 -31.93 60.85 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.189 0.45 . . . . 0.0 112.192 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.82 -23.12 67.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -77.28 -12.65 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 583' ' ' PHE . 56.3 m-85 -107.47 124.42 49.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.057 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 47.1 t -130.95 132.62 45.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.0 m-85 -103.6 -3.23 25.47 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.363 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 588' ' ' ARG . 19.2 m -61.45 113.99 9.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.657 171.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.65 10.6 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.652 2.235 . . . . 0.0 111.414 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.415 ' HG2' HG21 ' A' ' 618' ' ' ILE . 48.3 mtt180 -100.82 2.55 41.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.408 ' HG2' HG22 ' A' ' 525' ' ' VAL . 49.6 tpp -94.97 107.86 34.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.781 173.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.01 58.08 6.01 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.003 2.469 . . . . 0.0 112.76 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 42.9 t -137.13 140.92 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 101.8 -135.23 12.1 Favored Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -120.43 132.31 55.18 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.867 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.665 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 23.3 m-85 -128.43 154.91 45.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.704 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.27 123.91 31.18 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.56 120.31 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -134.08 157.46 46.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.509 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.76 133.14 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.88 0.848 . . . . 0.0 111.095 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.537 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.1 p -126.34 164.84 31.5 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 22.4 Cg_endo -61.89 -12.83 27.56 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 122.395 2.063 . . . . 0.0 112.628 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.506 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.3 pt-20 -98.75 -15.25 19.39 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.57 175.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.13 -163.9 24.82 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.682 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.99 122.72 29.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.368 0.604 . . . . 0.0 110.497 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.479 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.7 pt20 -138.03 151.44 47.88 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.638 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.8 m95 -88.5 110.16 20.63 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.3 t -92.79 125.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.05 0.452 . . . . 0.0 110.073 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -74.38 135.46 42.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.063 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.1 144.25 27.14 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 614' ' ' ILE . 47.0 m -81.69 167.68 18.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -55.47 -31.46 62.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.094 0.247 . . . . 0.0 111.552 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -78.07 -25.35 47.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -82.18 -29.61 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.304 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.522 ' O ' HG13 ' A' ' 618' ' ' ILE . 38.9 mt -47.4 -58.78 6.64 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.074 -0.967 . . . . 0.0 112.978 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.608 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.4 Cg_endo -61.38 -31.74 88.77 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.552 2.168 . . . . 0.0 112.773 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.4 m -64.99 -40.69 95.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.5 -38.98 71.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.443 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.8 mt -56.75 -43.52 79.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.933 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.5 mm-40 -55.07 -33.97 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.79 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.976 0.417 . . . . 0.0 110.805 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.0 pt -82.0 -3.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.457 0.646 . . . . 0.0 110.64 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 0.9 OUTLIER -92.83 124.87 37.13 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.233 177.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -89.43 38.58 3.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.691 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.211 -0.899 . . . . 0.0 109.295 179.128 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.557 0.217 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -135.56 159.82 40.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.736 0.303 . . . . 0.0 110.672 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -88.63 110.54 21.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.8 mt -106.55 136.42 41.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.566 -173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -115.25 151.18 34.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.602 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.517 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.82 144.69 29.02 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.49 174.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.05 -42.92 62.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.751 2.301 . . . . 0.0 112.308 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.14 -41.7 72.1 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.1 mm-40 -72.98 -32.14 64.98 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.415 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.542 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 67.3 t -71.25 -31.54 44.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.605 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 ptm180 -80.77 -15.38 56.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.146 174.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.435 HD23 ' NE2' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -50.1 -49.61 74.41 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 122.426 0.29 . . . . 0.0 111.454 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.542 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 45.6 Cg_exo -57.35 -36.9 98.9 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.335 2.023 . . . . 0.0 112.26 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.34 -23.98 64.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 61.7 mt-30 -76.71 -25.16 53.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.721 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -94.66 -99.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.918 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.47 -20.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.492 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -70.73 160.38 32.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.437 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -129.83 159.73 35.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.684 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 4.6 ttt180 -145.46 119.79 9.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.268 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.04 116.16 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -107.19 118.82 37.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.349 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 24.3 mt -110.61 124.24 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.0 110.447 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -129.33 142.82 50.72 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.562 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -70.32 126.16 28.86 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.99 165.31 25.4 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.1 m -71.11 -20.08 62.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.903 0.383 . . . . 0.0 110.524 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.88 -47.15 3.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -152.55 -173.36 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -83.84 125.06 31.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.549 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -128.54 155.77 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 0.0 112.008 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -145.45 151.87 24.01 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.107 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -140.73 148.88 41.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.845 0.831 . . . . 0.0 111.192 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.4 m -106.03 125.66 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.17 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -109.18 147.19 32.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.565 0.698 . . . . 0.0 110.566 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 0.684 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.7 m-85 -130.64 152.98 49.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.203 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.631 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 50.7 m-85 -134.28 130.79 37.6 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.92 134.39 25.47 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.648 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.99 -11.08 27.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.937 2.425 . . . . 0.0 112.811 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 9.2 p -137.28 6.79 2.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.181 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.19 -141.25 3.15 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.115 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -81.03 -177.21 6.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.846 -0.677 . . . . 0.0 111.165 -175.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.31 135.8 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.401 0.62 . . . . 0.0 110.344 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -124.94 145.87 49.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.465 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -138.36 10.79 2.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.657 0.742 . . . . 0.0 110.119 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -118.13 144.67 45.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.009 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.629 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 24.7 t80 -57.29 -49.96 90.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.596 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.586 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 34.5 Cg_endo -63.78 -14.93 45.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.341 2.027 . . . . 0.0 112.512 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.08 -27.32 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.233 0.54 . . . . 0.0 111.019 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.5 t -78.21 -45.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.728 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.5 mm -57.42 -33.19 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 121.048 0.451 . . . . 0.0 111.766 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.1 ptpt -74.5 -38.24 62.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.653 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.92 -40.8 95.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.977 0.417 . . . . 0.0 109.876 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.4 mt -68.0 -40.81 82.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 56.1 m -72.14 -40.63 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.888 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 79.0 mtp180 -72.77 -25.65 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.942 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -117.57 -162.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.18 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.1 t -124.18 117.75 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.0 110.338 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.26 111.0 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.82 -31.32 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.233 -172.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -70.24 -44.29 68.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.037 0.446 . . . . 0.0 111.258 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 528' ' ' PRO . 2.6 m -122.15 135.82 61.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.121 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.2 175.52 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.412 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -54.34 -31.94 55.6 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.483 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.53 -30.31 69.67 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 40.9 m80 -73.75 -11.61 60.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.294 0.568 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 583' ' ' PHE . 49.9 m-85 -106.75 126.33 52.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.363 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.8 t -135.47 134.65 39.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.613 ' HE1' ' CE2' ' A' ' 585' ' ' PHE . 53.2 m-85 -106.2 -5.12 19.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.7 m -63.95 120.22 61.96 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.764 0.316 . . . . 0.0 111.134 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.96 11.83 1.9 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.222 2.614 . . . . 0.0 112.187 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.26 2.72 34.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.454 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 58.8 tpp -97.34 102.82 13.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.669 172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 72.6 Cg_endo -79.44 72.49 6.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.875 2.383 . . . . 0.0 112.596 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.492 HG11 ' HB3' ' A' ' 526' ' ' ARG . 78.6 t -107.6 -72.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.65 -105.94 0.91 Allowed Glycine 0 CA--C 1.502 -0.721 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.868 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -113.61 137.81 51.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-O 121.203 0.525 . . . . 0.0 110.235 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 0.457 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -119.7 131.87 55.52 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -127.78 153.09 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -131.04 120.21 23.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.99 124.41 26.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -133.98 157.83 45.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -173.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.15 143.42 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 0.0 110.779 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.561 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 16.4 p -135.38 165.05 39.29 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.361 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.1 Cg_endo -61.7 -11.4 20.4 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.715 2.277 . . . . 0.0 112.847 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.561 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.9 pt-20 -102.11 -16.05 16.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.258 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 140.39 -170.76 24.27 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.386 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.2 mt -81.85 124.81 30.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.464 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.9 pt20 -139.38 150.5 45.38 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.377 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -88.23 111.29 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.31 124.21 44.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.201 0.524 . . . . 0.0 110.684 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -74.25 134.81 42.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 20.1 mt -97.76 145.17 26.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.967 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 166.88 15.86 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.29 54.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.63 -29.12 62.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.92 -29.27 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . . . . . . . . . 29.3 mt -46.52 -58.39 6.81 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.479 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.0 Cg_endo -61.3 -33.6 89.22 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.425 2.084 . . . . 0.0 112.555 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.07 -32.42 72.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.239 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -72.95 -45.28 58.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.965 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . . . . . . . . . 53.9 mt -57.33 -39.44 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.161 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.574 ' O ' ' HB ' ' A' ' 622' ' ' THR . 29.1 mm-40 -56.97 -34.64 68.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.72 51.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.706 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 28.4 pt -79.47 -1.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.959 0.885 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 619' ' ' GLN . 1.2 m -73.83 -27.18 60.98 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.603 175.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 138.51 31.33 0.21 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.375 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.985 179.686 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -91.44 165.49 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -167.61 124.25 1.13 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.0 mt -117.68 141.01 38.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.71 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -112.61 152.14 29.27 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.51 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -102.19 142.93 25.58 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.206 175.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.76 -43.97 51.65 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.111 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.38 -41.74 76.72 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.923 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.6 mm-40 -72.84 -32.5 65.52 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.424 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.56 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 97.7 t -67.76 -30.81 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.447 ' HB3' ' CG1' ' A' ' 591' ' ' VAL . 9.1 ptm180 -81.97 -15.68 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.711 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -52.91 -50.77 79.76 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.535 179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.56 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.7 Cg_exo -59.1 -35.49 97.94 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.245 1.964 . . . . 0.0 112.096 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.8 mt -64.01 -24.2 67.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.616 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -84.56 -21.28 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -96.59 -23.38 16.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . 0.403 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 147.73 -25.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.622 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.614 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 67.6 m95 -62.0 152.63 31.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.242 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -131.52 158.18 41.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.506 ' CZ ' HG21 ' A' ' 537' ' ' VAL . 0.0 OUTLIER -143.52 120.22 11.16 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.468 178.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -114.73 137.81 51.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 535' ' ' ARG . 78.0 t -116.44 120.85 66.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.774 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.49 119.39 38.79 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.837 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.71 122.99 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 121.3 0.572 . . . . 0.0 110.405 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -127.21 144.7 50.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 542' ' ' GLY . 21.9 tptm -76.71 126.64 31.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.128 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.428 ' O ' ' HE2' ' A' ' 541' ' ' LYS . . . -97.66 165.59 22.36 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.236 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.2 t -71.62 -16.31 62.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.079 0.466 . . . . 0.0 110.3 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -109.48 -46.03 3.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -152.74 -177.99 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.52 0.676 . . . . 0.0 111.851 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.422 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 54.1 m95 -89.25 124.56 34.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.844 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -130.67 164.2 25.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.73 0.776 . . . . 0.0 111.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.71 152.03 23.85 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.588 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.94 148.95 45.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.522 0.677 . . . . 0.0 110.669 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 97.2 m -107.74 125.88 51.94 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . 0.475 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 8.8 m0 -109.98 149.3 30.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.637 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.638 ' HD2' ' CD1' ' A' ' 552' ' ' TYR . 15.9 m-85 -132.79 155.92 48.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.902 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -134.9 133.2 39.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.542 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.92 130.31 19.57 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 173.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . 0.403 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 52.9 Cg_endo -69.11 -15.48 39.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.629 2.219 . . . . 0.0 112.122 -175.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 57.9 m -129.34 5.6 5.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.81 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -144.51 3.94 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.495 -169.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.407 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.4 OUTLIER -80.08 -176.53 5.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.953 -0.624 . . . . 0.0 112.464 -173.309 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.475 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 36.1 ttp180 -106.09 133.09 51.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.451 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.449 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -124.37 143.58 50.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 11.88 2.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.889 0.852 . . . . 0.0 109.525 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.451 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.7 mm100 -118.84 145.57 45.56 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.069 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.744 ' CE1' HD12 ' A' ' 567' ' ' ILE . 14.6 t80 -57.27 -49.08 95.97 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.403 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 31.8 Cg_endo -63.08 -15.62 49.12 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.555 2.17 . . . . 0.0 112.882 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.451 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 56.7 mt-10 -83.4 -28.85 28.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.351 0.596 . . . . 0.0 110.856 177.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.615 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 63.1 t -78.84 -44.46 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.581 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.744 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -59.15 -32.86 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.149 0.5 . . . . 0.0 111.304 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.499 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.5 ptpt -74.59 -37.06 63.0 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.862 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -66.7 -40.6 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 33.9 mt -67.45 -37.69 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.2 t -74.19 -44.39 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.933 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -75.45 -34.24 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.817 -175.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' ' 573' ' ' ASN . 0.8 OUTLIER -102.81 176.95 4.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.211 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.32 117.22 41.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 34.2 t -137.82 104.64 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -104.39 -13.33 16.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.712 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 10.5 p -94.02 -44.78 7.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.273 0.559 . . . . 0.0 111.723 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.54 141.22 39.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.849 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -113.28 173.59 6.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.458 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.441 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.9 -32.15 52.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.12 -23.91 66.83 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -77.79 -12.68 60.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.208 0.528 . . . . 0.0 110.805 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.64 ' HE2' ' CE1' ' A' ' 583' ' ' PHE . 54.7 m-85 -108.41 124.84 51.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.43 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.3 p -135.28 133.03 38.48 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.443 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 63.4 m-85 -101.22 -0.66 35.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.112 0.482 . . . . 0.0 111.133 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.6 m -61.52 113.8 9.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.94 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.78 10.25 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.584 2.189 . . . . 0.0 112.32 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -93.17 -1.42 56.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 109.747 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 50.9 tpp -91.95 109.52 37.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.629 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.93 52.49 4.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.184 2.59 . . . . 0.0 112.323 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 526' ' ' ARG . 25.7 t -140.03 119.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 110.53 -154.15 16.74 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -166.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.52 138.39 50.2 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.299 0.571 . . . . 0.0 111.171 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.668 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 13.3 m-85 -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.254 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.39 152.42 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.458 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.38 126.87 28.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.529 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 606' ' ' TRP . 36.1 tt0 -75.1 121.0 21.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.351 0.595 . . . . 0.0 109.59 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -130.74 159.3 37.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.327 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -94.41 134.84 36.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.54 0.686 . . . . 0.0 111.177 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.6 p -128.82 164.21 40.12 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.1 Cg_endo -60.14 -15.33 33.52 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.664 2.242 . . . . 0.0 112.613 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.421 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 8.6 pt-20 -99.14 -11.16 21.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.864 0.364 . . . . 0.0 110.794 176.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 131.91 -161.96 23.82 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.867 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.24 122.41 30.19 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.562 0.696 . . . . 0.0 110.728 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -138.94 153.45 48.22 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.532 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 597' ' ' GLU . 53.5 m95 -91.01 110.47 21.73 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 24.3 t -93.56 130.16 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.002 0.43 . . . . 0.0 110.091 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -73.34 135.55 44.34 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.719 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 24.8 mt -96.2 143.31 27.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 614' ' ' ILE . 37.8 m -84.67 165.5 17.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.443 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.83 -31.73 50.36 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.58 -36.12 78.29 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.486 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.17 -29.47 38.75 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.496 ' O ' HG13 ' A' ' 618' ' ' ILE . 32.7 mt -46.48 -58.78 6.03 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.33 -177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.612 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 24.9 Cg_endo -62.29 -31.54 81.91 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.371 2.047 . . . . 0.0 112.814 -175.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 t -66.87 -37.58 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.135 0.493 . . . . 0.0 109.714 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.425 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.3 mpt_? -71.94 -39.87 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.334 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 622' ' ' THR . 64.7 mt -57.17 -38.99 64.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.907 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.96 -33.84 75.03 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.15 34.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 617' ' ' ARG . 40.0 pt -83.09 -2.25 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.541 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.608 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -75.66 -17.07 60.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.896 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 142.89 57.54 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.097 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.151 176.166 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -106.06 149.62 26.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.973 0.416 . . . . 0.0 111.218 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -108.66 115.61 30.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.442 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.6 mt -118.58 132.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -96.98 149.78 21.52 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.186 -175.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.526 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -102.38 144.58 28.9 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.972 173.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.3 -42.77 62.76 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.791 2.327 . . . . 0.0 112.225 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -58.52 -39.98 81.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.704 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -72.12 -30.68 65.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.574 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 67.4 t -74.84 -31.3 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.911 0.386 . . . . 0.0 111.198 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.594 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.8 ptm85 -80.74 -15.11 57.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.937 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.8 -49.88 77.04 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 122.58 0.352 . . . . 0.0 111.324 177.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 51.2 Cg_exo -57.08 -37.19 98.92 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.419 2.08 . . . . 0.0 112.188 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 57.5 mt -64.97 -27.17 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 50.3 mt-30 -77.49 -22.05 51.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.653 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -101.13 -24.15 14.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.83 -27.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.979 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.538 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.0 m95 -63.2 157.88 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.731 0.301 . . . . 0.0 110.286 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -131.88 159.43 38.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.63 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.65 119.29 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.675 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -115.18 141.5 47.94 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.353 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.13 119.62 62.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.153 0.501 . . . . 0.0 109.787 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -104.46 118.36 36.41 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.271 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 44.7 mt -113.97 122.78 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.445 0.641 . . . . 0.0 110.647 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -127.74 147.73 50.41 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.49 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.7 tptm -82.06 126.51 32.08 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.96 168.83 22.55 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.821 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.5 m -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -108.15 -59.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.96 -179.87 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.454 0.645 . . . . 0.0 112.085 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.49 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.3 m95 -87.23 124.18 33.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.525 174.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.24 163.55 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.363 0.601 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.75 151.67 23.55 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -139.04 148.17 43.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.308 0.575 . . . . 0.0 110.619 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 58.5 m -108.35 126.05 52.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.072 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -109.91 148.91 30.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.556 0.693 . . . . 0.0 110.617 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.64 ' HE1' ' CE2' ' A' ' 552' ' ' TYR . 16.4 m-85 -131.26 153.07 49.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.454 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -136.17 130.71 33.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.22 135.36 27.55 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.237 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.33 -13.04 27.95 Favored 'Trans proline' 0 CA--C 1.527 0.132 0 C-N-CA 122.895 2.397 . . . . 0.0 112.529 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 36.7 m -135.83 6.15 3.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.952 -175.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.73 -147.11 4.74 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 119.606 -1.283 . . . . 0.0 113.241 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -178.0 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.155 -0.522 . . . . 0.0 111.663 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.411 ' H ' ' HD2' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -118.9 142.68 47.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.565 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -130.1 150.84 51.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.976 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 10.96 2.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.619 0.723 . . . . 0.0 109.811 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.4 mm100 -117.29 145.22 44.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.198 174.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 567' ' ' ILE . 16.1 t80 -59.96 -49.15 92.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.629 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 36.0 Cg_endo -63.81 -12.61 32.54 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.421 2.081 . . . . 0.0 112.359 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 58.7 mm-40 -89.8 -25.59 21.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 0.0 110.921 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 46.3 t -78.08 -45.17 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.32 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.658 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.64 -32.68 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.189 0.519 . . . . 0.0 111.358 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.524 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.2 ptpm? -73.85 -36.61 64.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.17 -41.69 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.9 mt -67.74 -30.95 70.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.6 t -73.44 -43.64 59.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.931 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -71.38 -35.87 71.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.774 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -110.32 165.46 11.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.234 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.13 116.86 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 141.9 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -137.14 -34.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 111.203 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 32.7 m -68.79 -37.29 79.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.133 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 528' ' ' PRO . 6.6 m -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.401 0.619 . . . . 0.0 111.874 176.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -113.05 175.11 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.404 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -53.78 -32.23 51.74 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.57 -28.42 65.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 45.3 m80 -75.61 -11.93 60.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.252 0.548 . . . . 0.0 111.052 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.615 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 52.0 m-85 -109.2 125.61 52.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.534 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 76.4 p -136.27 140.62 43.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.613 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 64.4 m-85 -108.5 -1.69 19.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.83 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 25.8 m -61.62 118.68 40.21 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.39 11.37 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.64 2.227 . . . . 0.0 112.708 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.44 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 76.0 mtp180 -90.58 -4.92 56.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 47.8 tpp -94.31 105.23 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.739 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 86.9 Cg_endo -82.67 64.07 8.08 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 123.289 2.659 . . . . 0.0 112.966 -175.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.489 HG22 ' HB ' ' A' ' 525' ' ' VAL . 69.5 t -102.82 -69.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.05 -103.34 1.43 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.575 -1.298 . . . . 0.0 112.5 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -112.66 138.89 48.8 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.322 0.582 . . . . 0.0 111.036 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.658 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 11.5 m-85 -121.24 132.09 54.61 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.819 174.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -130.1 155.09 46.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.388 . . . . 0.0 110.517 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.2 127.61 38.27 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -74.12 124.77 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -135.19 157.26 47.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.5 137.41 37.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.811 0.815 . . . . 0.0 110.868 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.581 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.9 p -128.86 164.64 37.32 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.748 178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.4 Cg_endo -61.95 -11.27 20.62 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.537 2.158 . . . . 0.0 112.574 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.581 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.7 pt-20 -101.73 -13.91 17.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.933 0.397 . . . . 0.0 110.406 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.02 -163.09 24.83 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.484 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.4 125.71 33.2 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 110.997 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -139.36 151.54 46.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.968 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -86.95 111.36 20.75 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.7 125.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.253 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.11 135.87 42.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.099 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.49 142.09 27.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 18.6 m -79.81 165.96 22.21 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -55.73 -30.91 61.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.646 0.26 . . . . 0.0 111.403 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -73.99 -29.61 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.794 0.331 . . . . 0.0 111.151 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -81.89 -29.09 32.58 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.911 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 618' ' ' ILE . 32.2 mt -46.01 -58.42 6.37 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.196 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 25.5 Cg_endo -61.63 -29.63 84.37 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.515 2.143 . . . . 0.0 112.645 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 37.0 t -64.21 -40.69 96.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 109.912 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.412 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.1 mpt_? -73.55 -40.06 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.596 ' O ' ' HB ' ' A' ' 622' ' ' THR . 63.3 mt -57.21 -39.36 66.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 25.1 mm-40 -58.76 -35.28 72.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.86 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -80.6 -43.32 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 617' ' ' ARG . 45.6 pt -82.89 -5.41 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.119 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -64.29 129.28 39.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.859 0.838 . . . . 0.0 111.027 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -169.87 41.68 0.2 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.344 -176.367 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.708 0.29 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -68.37 146.82 52.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 2.8 tmm_? -76.6 120.59 22.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.04 141.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.14 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -114.63 149.09 37.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.103 0.478 . . . . 0.0 111.186 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.519 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.51 144.49 28.76 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.19 173.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.33 -42.9 57.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.559 2.173 . . . . 0.0 112.305 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.15 -39.17 78.09 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 11.8 mm-40 -72.19 -34.02 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 521' ' ' THR . 68.9 t -69.8 -31.75 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.745 0.307 . . . . 0.0 111.464 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.0 ptm180 -80.04 -16.75 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.232 -0.292 . . . . 0.0 111.251 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.51 -53.67 43.27 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 178.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 23.1 Cg_endo -63.34 -27.84 71.64 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.209 1.939 . . . . 0.0 112.185 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 25.8 mt -66.35 -19.66 65.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.0 110.146 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 30.1 mt-30 -87.27 -12.0 47.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.14 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -122.89 56.32 1.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 83.83 -42.59 3.07 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.186 -1.007 . . . . 0.0 114.005 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.547 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 77.2 m95 -60.38 152.31 25.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.518 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.33 160.11 34.06 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.692 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.3 ttt180 -144.13 118.7 9.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.696 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.12 136.27 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.899 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.15 125.9 73.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.053 0.454 . . . . 0.0 110.914 -173.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.12 122.61 46.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.458 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.81 124.39 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.291 0.567 . . . . 0.0 110.83 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -131.04 146.33 52.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.242 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.411 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.0 tptm -77.97 130.3 36.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.256 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -106.84 169.01 14.72 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.772 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -72.07 -20.75 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -102.95 -50.25 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.648 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -153.3 -177.4 6.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.611 . . . . 0.0 111.199 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.411 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 55.4 m95 -85.11 125.07 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.415 173.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -125.78 157.66 36.92 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.656 0.741 . . . . 0.0 111.505 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.24 151.1 23.12 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.542 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -141.21 149.39 41.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.934 0.873 . . . . 0.0 111.128 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.482 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -106.22 126.67 52.51 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.817 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -108.14 147.54 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.829 0.823 . . . . 0.0 110.563 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 0.692 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -131.21 153.47 49.43 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.864 -1.516 . . . . 0.0 110.18 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -135.19 129.27 33.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.8 129.96 16.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.46 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.64 -17.54 48.02 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.711 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 63.0 m -128.47 5.6 5.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.426 -175.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.09 -141.98 3.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.391 -169.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -177.13 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.018 -0.591 . . . . 0.0 111.759 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.476 ' NE ' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -120.7 140.38 51.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 175.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.25 149.03 50.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.768 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.507 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.63 9.24 2.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.645 0.736 . . . . 0.0 109.685 174.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.427 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -119.82 145.36 46.7 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.575 176.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.752 ' CE1' HD12 ' A' ' 567' ' ' ILE . 18.7 t80 -57.66 -49.89 91.2 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.966 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.547 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 42.3 Cg_endo -66.25 -13.73 41.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.024 1.816 . . . . 0.0 112.336 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -85.16 -27.06 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.331 0.586 . . . . 0.0 110.548 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.578 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 47.2 t -78.64 -46.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.626 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.752 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -58.82 -32.82 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.547 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.4 ptpt -74.15 -37.02 64.15 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.567 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.613 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 47.8 t80 -62.49 -41.78 99.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.3 mt -68.34 -32.29 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.117 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 37.0 m -74.11 -44.25 54.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.263 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.4 mtp180 -75.54 -32.27 60.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.359 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -111.54 178.99 4.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.831 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.13 117.79 55.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.797 0.332 . . . . 0.0 110.214 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 35.4 t -141.23 110.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -111.63 -11.77 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 31.5 p -80.21 -44.55 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 0.0 110.704 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.9 m -121.88 141.88 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.728 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 24.3 mmt180 -112.64 173.14 6.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.529 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.445 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.15 -32.28 54.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.0 pt-20 -61.01 -26.36 67.55 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.543 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.0 m80 -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.318 0.58 . . . . 0.0 110.735 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 0.46 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 36.1 m-85 -108.03 127.63 53.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.486 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 74.6 p -136.39 137.89 41.0 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 57.2 m-85 -106.88 -2.82 20.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.669 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 62.8 m -62.08 118.03 35.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.5 13.31 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.454 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.437 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 17.6 mtm180 -98.37 -0.64 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.463 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.6 tpp -94.82 104.12 13.6 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.987 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 85.5 Cg_endo -82.22 67.54 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.987 2.458 . . . . 0.0 112.576 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.47 HG22 ' HB ' ' A' ' 525' ' ' VAL . 84.5 t -104.98 -68.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.74 -108.63 1.8 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.523 -1.322 . . . . 0.0 112.509 -173.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.8 138.88 46.64 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.59 0.709 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.662 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 16.1 m-85 -122.25 132.49 54.45 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.373 177.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.666 ' HD2' ' CD1' ' A' ' 595' ' ' PHE . 27.6 m-85 -127.13 155.05 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.409 ' HB2' HD12 ' A' ' 609' ' ' LEU . 4.7 tp10 -134.08 123.89 25.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.763 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.74 124.93 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -134.49 157.55 46.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.933 -174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.59 137.23 37.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 0.0 111.358 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.542 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.9 p -131.94 164.23 44.48 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.128 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.5 Cg_endo -62.32 -10.83 19.9 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.631 2.221 . . . . 0.0 112.677 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.542 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.1 pt-20 -101.85 -14.82 17.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.007 0.432 . . . . 0.0 110.211 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.38 -169.84 24.12 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.012 -1.09 . . . . 0.0 113.854 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.3 mt -82.33 122.49 28.03 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.314 0.578 . . . . 0.0 110.043 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.449 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.7 pt20 -138.06 150.46 46.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.847 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -88.72 111.73 22.32 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.79 126.68 45.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.328 0.585 . . . . 0.0 110.514 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -73.31 134.7 44.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.958 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 596' ' ' GLU . 26.7 mt -98.2 145.73 26.32 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -175.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 614' ' ' ILE . 3.8 m -81.36 166.55 20.35 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.71 -35.78 56.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.195 0.309 . . . . 0.0 111.654 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -78.68 -24.33 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.751 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.86 -28.64 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 618' ' ' ILE . 44.2 mt -46.64 -58.45 6.8 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.947 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.566 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.5 Cg_endo -62.16 -29.88 81.34 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.362 2.042 . . . . 0.0 112.83 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 22.5 t -69.56 -34.22 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.338 0.59 . . . . 0.0 109.663 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.63 -42.39 64.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.542 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 614' ' ' ILE . 66.9 mt -56.97 -39.79 68.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.047 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.7 mm-40 -57.85 -35.42 70.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.73 44.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.951 0.405 . . . . 0.0 111.196 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 41.5 pt -86.24 -2.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 5.7 t -66.6 163.89 17.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.487 -175.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -166.54 48.25 0.26 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.271 -179.797 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -97.42 137.57 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 0.0 110.3 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 3.1 tmm_? -83.43 113.55 20.84 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.36 142.09 23.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.087 -175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -113.94 149.63 34.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.535 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.06 144.66 29.08 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 176.433 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -42.89 60.2 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.212 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.69 -42.15 78.58 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 23.0 mm-40 -73.1 -33.6 65.69 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.613 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 521' ' ' THR . 58.5 t -70.99 -34.29 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.052 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.539 ' HB3' HG11 ' A' ' 591' ' ' VAL . 11.6 ptm180 -78.89 -15.28 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.228 -0.295 . . . . 0.0 111.266 176.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.71 -54.8 32.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 122.801 0.44 . . . . 0.0 111.856 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.3 Cg_endo -60.34 -26.68 83.25 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.322 2.015 . . . . 0.0 112.363 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 37.4 mt -68.8 -20.28 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -92.49 -7.46 47.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.337 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.39 -29.88 10.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.33 -24.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.788 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.46 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 42.4 m95 -69.29 162.7 26.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.757 0.313 . . . . 0.0 110.614 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.411 ' HA ' HD23 ' A' ' 529' ' ' LEU . 79.2 ttt180 -137.36 161.37 36.47 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 172.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 5.0 ttt180 -144.42 119.56 10.11 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.525 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -116.55 141.69 47.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.497 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.13 120.55 64.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.257 0.551 . . . . 0.0 109.929 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -105.05 119.78 39.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.097 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.9 mt -113.48 123.34 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.56 0.695 . . . . 0.0 110.675 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -130.5 146.55 52.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.222 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.5 tptm -76.32 124.61 27.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.13 168.3 23.23 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.525 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.6 m -66.94 -29.52 69.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.592 . . . . 0.0 110.217 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -98.0 -59.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.248 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -140.28 -178.47 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 111.396 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.423 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 30.0 m95 -83.77 124.35 30.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.074 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.12 154.57 44.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.672 0.748 . . . . 0.0 112.043 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.4 150.27 22.51 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.652 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -136.38 148.06 47.64 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.51 0.671 . . . . 0.0 110.281 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 70.5 m -107.98 126.45 52.73 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.601 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -107.65 147.57 30.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.983 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 552' ' ' TYR . 0.6 OUTLIER -132.99 149.2 52.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.086 177.138 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.6 133.08 43.21 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.552 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.68 136.99 29.95 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -51.18 -30.16 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 123.173 2.582 . . . . 0.0 113.583 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.22 -25.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.274 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -83.41 -150.49 10.03 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.896 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -177.95 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 141.5 50.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.386 0.612 . . . . 0.0 110.664 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.437 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -123.36 144.84 49.2 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.685 -176.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -122.23 -3.61 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -115.67 144.92 43.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.388 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.67 ' CE1' HD12 ' A' ' 567' ' ' ILE . 13.5 t80 -58.84 -48.66 96.39 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.305 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.8 Cg_endo -63.62 -14.15 40.89 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.338 2.025 . . . . 0.0 112.395 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 67.5 mm-40 -84.84 -26.97 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.353 0.597 . . . . 0.0 111.096 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 61.8 t -79.74 -44.1 23.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.614 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.67 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -58.83 -32.55 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 121.282 0.563 . . . . 0.0 111.172 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.9 ptpt -74.52 -38.61 62.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.666 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.612 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 33.7 t80 -61.78 -44.12 97.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 -176.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -67.97 -39.89 83.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.368 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.7 m -72.79 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.863 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -77.6 -36.98 51.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 111.06 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -102.2 -171.34 1.95 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.176 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.55 116.41 52.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 58.9 t -142.65 120.25 7.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -114.04 -30.82 6.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.463 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.7 m -69.42 -44.37 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.49 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 528' ' ' PRO . 6.0 m -116.95 137.75 49.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.42 0.629 . . . . 0.0 112.59 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -113.35 171.38 7.59 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.406 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.47 -32.45 57.76 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.461 ' HA ' ' NH1' ' A' ' 518' ' ' ARG . 12.2 pt-20 -58.44 -28.9 65.72 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.524 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 35.5 m80 -74.35 -11.76 60.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 111.023 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.661 ' HE1' ' CE2' ' A' ' 583' ' ' PHE . 59.8 m-85 -108.64 128.19 54.62 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.79 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.3 t -135.49 134.51 39.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.631 ' HE2' ' CE1' ' A' ' 585' ' ' PHE . 37.6 m-85 -108.33 -2.43 19.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 111.407 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.1 m -61.74 117.39 27.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.55 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -74.54 11.59 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.63 2.22 . . . . 0.0 112.259 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 588' ' ' ARG . 48.1 mtm180 -94.74 -2.67 50.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.475 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 53.9 tpp -96.47 106.35 28.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.417 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.406 ' HB3' HG22 ' A' ' 614' ' ' ILE . 92.7 Cg_endo -82.89 67.48 7.78 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.238 2.625 . . . . 0.0 112.928 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.539 HG11 ' HB3' ' A' ' 526' ' ' ARG . 76.8 t -104.96 -73.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.44 -95.42 0.84 Allowed Glycine 0 C--N 1.336 0.542 0 C-N-CA 119.532 -1.318 . . . . 0.0 112.857 -170.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.49 138.57 54.55 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 12.9 m-85 -123.01 132.54 54.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.336 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.626 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 20.0 m-85 -129.85 155.26 46.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 178.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -134.31 129.37 35.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.23 126.27 30.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.155 0.502 . . . . 0.0 110.034 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -134.02 156.73 47.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.979 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -102.9 145.47 29.76 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.546 0.688 . . . . 0.0 111.094 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.601 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 20.6 p -136.41 165.21 37.17 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.324 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.7 Cg_endo -60.23 -10.37 12.84 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.937 2.424 . . . . 0.0 112.709 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.601 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 13.3 pt-20 -102.11 -15.78 16.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.143 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.48 -174.98 20.46 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.642 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.6 121.72 20.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.212 0.53 . . . . 0.0 110.663 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.407 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.2 pt20 -135.79 145.97 47.08 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.633 178.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -88.54 111.83 22.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.7 t -92.36 127.1 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.462 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -74.23 136.59 42.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.003 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.17 142.85 27.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.487 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.2 m -79.48 167.04 21.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -54.99 -32.4 61.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 111.392 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.16 -25.89 47.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.559 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -82.04 -29.52 31.89 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 610' ' ' SER . 43.5 mt -47.77 -58.72 7.01 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.073 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.7 Cg_endo -59.97 -30.95 92.84 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.542 2.162 . . . . 0.0 112.616 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 m -66.25 -39.64 89.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.027 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -72.6 -39.18 67.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.845 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.0 mt -56.48 -41.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.843 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.0 mm-40 -56.43 -34.97 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.094 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -79.2 -43.85 23.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.735 0.302 . . . . 0.0 111.006 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.81 -3.19 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.491 0.662 . . . . 0.0 110.177 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.1 m -77.83 119.92 22.0 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.143 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -153.58 69.39 0.3 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.099 -178.793 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -76.58 137.34 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.146 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 581' ' ' GLU . 4.2 tmt_? 68.0 117.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 124.134 0.896 . . . . 0.0 111.46 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.9 mt -96.36 141.3 15.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.112 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.64 151.05 19.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.509 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -100.48 147.68 33.92 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.505 177.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.1 -42.49 64.38 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.791 2.327 . . . . 0.0 112.116 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.4 ' HA ' ' HG2' ' A' ' 526' ' ' ARG . 13.2 pt-20 -60.29 -37.91 81.96 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.69 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 27.9 mm-40 -72.09 -33.64 68.05 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.564 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 67.4 t -71.79 -31.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.833 0.349 . . . . 0.0 111.348 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.466 ' HB3' HG11 ' A' ' 591' ' ' VAL . 7.7 ptm180 -79.94 -15.64 56.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.352 -0.218 . . . . 0.0 111.197 174.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.22 -49.65 74.84 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 122.361 0.264 . . . . 0.0 111.213 177.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.4 Cg_exo -55.73 -37.85 95.03 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.43 2.087 . . . . 0.0 112.376 174.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -63.08 -25.24 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.511 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -85.72 -8.03 58.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -128.12 55.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.521 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.08 -45.93 3.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.128 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.469 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.8 m95 -60.85 156.46 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -175.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -133.38 161.33 34.81 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.733 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.5 tmt_? -147.77 119.42 8.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.116 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -114.52 142.18 46.74 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.403 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.5 116.79 53.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -107.56 118.02 35.62 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.245 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 41.9 mt -110.74 123.62 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 121.544 0.688 . . . . 0.0 110.472 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.89 144.19 50.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.44 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.35 122.74 22.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -86.89 168.43 39.31 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.576 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.4 m -64.7 -27.35 68.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.257 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -109.12 -58.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.875 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -135.74 -173.25 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.079 0.466 . . . . 0.0 111.365 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -85.86 124.84 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.446 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -128.64 161.16 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.576 0.703 . . . . 0.0 111.856 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.13 151.66 23.41 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -139.2 150.28 45.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.878 0.847 . . . . 0.0 111.387 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.452 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 27.5 m -104.47 126.68 51.78 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.016 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -107.97 146.05 33.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 110.425 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.631 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 22.2 m-85 -130.98 152.81 49.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.083 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.664 ' HD1' ' CD2' ' A' ' 553' ' ' TYR . 27.3 m-85 -135.18 130.11 34.82 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.82 131.41 25.9 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.446 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.16 6.6 2.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.169 -175.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.89 -142.18 3.34 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.031 -1.08 . . . . 0.0 112.993 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -177.41 5.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.341 -0.429 . . . . 0.0 111.263 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.87 142.67 49.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.143 0.497 . . . . 0.0 110.338 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -127.94 145.0 51.1 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.901 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -135.03 11.97 3.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.884 0.85 . . . . 0.0 109.397 176.514 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.0 OUTLIER -121.93 145.13 48.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.494 174.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 563' ' ' PHE . 10.6 t80 -58.23 -49.62 92.6 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.788 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 40.9 Cg_endo -65.18 -13.6 40.63 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.269 1.979 . . . . 0.0 112.422 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 35.4 mm-40 -86.93 -25.89 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.146 0.498 . . . . 0.0 110.929 176.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.16 -44.1 27.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.432 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.695 HD12 ' CE1' ' A' ' 563' ' ' PHE . 12.6 mm -57.67 -33.41 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -178.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.2 -37.8 63.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.834 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.12 -42.03 97.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.56 -38.56 84.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.39 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 40.9 m -72.68 -41.22 65.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.521 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 28.8 mtp180 -78.61 -19.16 53.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 -176.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -118.76 -171.24 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.038 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.6 t -114.52 116.54 52.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 22.7 t -144.83 110.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.006 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -109.09 -25.76 10.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.2 m -69.44 -44.49 71.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.079 0.466 . . . . 0.0 110.605 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.483 HG13 ' HA ' ' A' ' 528' ' ' PRO . 15.7 m -121.48 138.72 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.449 0.643 . . . . 0.0 112.309 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.427 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 23.2 mmm180 -112.42 175.47 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -31.28 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.345 0.521 . . . . 0.0 111.781 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 518' ' ' ARG . 10.8 pt-20 -61.31 -21.74 64.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.504 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.0 m80 -82.45 -10.71 58.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.583 0.706 . . . . 0.0 110.634 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.635 ' HE1' ' CE2' ' A' ' 583' ' ' PHE . 72.4 m-85 -107.08 127.18 53.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.0 m -136.11 132.05 35.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.479 ' CE1' ' HD1' ' A' ' 552' ' ' TYR . 53.5 m-85 -103.23 -0.45 30.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.788 -176.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 24.4 m -62.85 117.62 34.13 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.696 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.8 11.42 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.006 2.471 . . . . 0.0 112.081 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -100.37 2.26 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.6 tpp -97.83 104.5 21.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.216 176.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.41 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 90.6 Cg_endo -81.51 70.54 7.29 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.985 2.457 . . . . 0.0 112.712 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 526' ' ' ARG . 75.5 t -105.43 -70.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.52 -109.91 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.684 -1.246 . . . . 0.0 112.266 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -109.62 139.22 44.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.369 0.604 . . . . 0.0 110.582 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.668 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 11.0 m-85 -120.31 132.71 55.42 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.299 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.666 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 13.5 m-85 -130.79 155.14 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.11 127.22 37.68 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.281 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -74.68 120.3 20.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -136.8 156.9 47.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.113 -172.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.39 143.16 30.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.863 0.839 . . . . 0.0 110.882 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.555 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.8 p -135.75 164.84 40.5 Favored Pre-proline 0 C--N 1.305 -1.366 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.18 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.554 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.5 Cg_endo -59.24 -14.97 26.58 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.873 2.382 . . . . 0.0 112.859 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.555 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.1 pt-20 -97.14 -17.96 19.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.13 0.49 . . . . 0.0 110.265 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.68 -164.99 25.15 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.222 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.25 122.47 28.46 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -137.05 151.0 48.43 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.979 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -88.56 110.2 20.7 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 50.8 t -93.84 128.8 44.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.208 0.528 . . . . 0.0 110.529 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -74.13 135.68 42.9 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.063 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.4 mt -96.1 142.61 28.08 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.447 ' O ' HG13 ' A' ' 614' ' ' ILE . 4.0 m -79.65 166.75 21.52 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.407 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.09 -34.36 56.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.091 0.244 . . . . 0.0 111.349 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.94 -29.96 63.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.103 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.03 -28.83 32.29 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 110.872 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 618' ' ' ILE . 34.1 mt -46.92 -58.54 6.81 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.153 -0.93 . . . . 0.0 113.251 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.637 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.9 Cg_endo -60.72 -32.95 93.63 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.405 2.07 . . . . 0.0 112.683 -175.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.2 m -64.46 -39.89 94.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 0.0 110.274 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -72.03 -39.57 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.0 mt -56.73 -42.99 78.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.109 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.4 mm-40 -58.48 -32.95 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.7 -43.4 25.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.058 0.456 . . . . 0.0 110.726 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 33.6 pt -78.78 -3.53 5.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 0.0 110.169 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.1 m -79.9 -24.53 41.06 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.479 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -64.76 102.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.286 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.402 -0.808 . . . . 0.0 109.993 -178.595 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -69.38 145.87 52.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.571 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -118.55 121.7 40.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.253 0.549 . . . . 0.0 110.794 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.8 mt -102.79 137.26 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -97.75 149.16 22.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.148 0.499 . . . . 0.0 111.618 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.552 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -104.0 143.86 27.51 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.16 171.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.45 -42.91 58.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 112.277 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.95 -39.94 79.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 18.1 mm-40 -72.71 -31.79 65.26 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.22 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.599 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 57.5 t -71.35 -31.98 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.865 0.364 . . . . 0.0 111.283 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.488 ' HB3' HG11 ' A' ' 591' ' ' VAL . 1.2 ptm180 -80.34 -14.33 58.44 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.532 174.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -51.45 -48.49 86.2 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 122.191 0.196 . . . . 0.0 111.327 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.599 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 49.7 Cg_exo -56.93 -37.09 99.16 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.407 2.071 . . . . 0.0 112.223 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 71.1 mt -63.47 -20.9 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.3 mt-30 -87.05 -17.04 33.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.565 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -122.01 58.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.42 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . 0.429 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 84.01 -38.94 2.84 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.409 174.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 71.2 m95 -64.38 155.42 32.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.315 0.557 . . . . 0.0 111.611 -176.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -130.95 157.67 42.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.643 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.6 ttt180 -146.12 119.88 9.24 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.693 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.07 141.91 46.86 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.339 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.76 117.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.22 120.83 43.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.757 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.74 125.1 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.927 -174.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -132.58 142.73 49.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.015 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.5 tptm -73.55 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.657 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.37 168.92 20.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.001 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -69.24 -25.88 64.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.039 0.447 . . . . 0.0 110.269 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -101.51 -55.06 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.787 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -146.95 -174.94 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.142 0.496 . . . . 0.0 111.208 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.405 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 47.8 m95 -87.17 124.71 33.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.788 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -125.65 163.74 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.611 0.72 . . . . 0.0 111.457 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.19 150.53 22.29 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.624 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -136.71 148.01 47.08 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.714 0.769 . . . . 0.0 110.791 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 55.5 m -106.48 125.42 50.98 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.76 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.14 145.59 33.93 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.655 0.741 . . . . 0.0 110.409 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 0.643 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 13.9 m-85 -131.58 153.88 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.604 ' HE1' ' CE2' ' A' ' 553' ' ' TYR . 35.4 m-85 -134.19 130.89 37.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.583 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.76 19.86 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . 0.429 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 42.9 Cg_endo -68.65 -7.17 19.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.834 2.356 . . . . 0.0 113.034 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -135.32 5.14 3.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.14 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.91 -142.58 3.44 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.747 -1.216 . . . . 0.0 113.286 -168.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -176.49 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.449 . . . . 0.0 111.401 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.72 138.23 53.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.214 0.531 . . . . 0.0 110.348 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.5 mpp? -121.45 144.54 48.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 -176.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.62 8.95 2.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.814 0.816 . . . . 0.0 110.14 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.424 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 14.0 mm100 -119.88 145.77 46.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.393 173.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.599 ' HD2' ' CD1' ' A' ' 563' ' ' PHE . 13.3 t80 -55.31 -49.08 94.45 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.462 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 33.4 Cg_endo -63.74 -15.71 50.48 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.243 1.962 . . . . 0.0 112.537 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.424 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 98.7 mt-10 -84.09 -27.96 27.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 176.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.624 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.1 t -77.67 -44.21 29.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.422 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.711 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.2 mm -58.88 -33.06 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.132 0.491 . . . . 0.0 111.025 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -74.16 -38.63 63.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.005 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.656 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 39.6 t80 -65.46 -41.67 93.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 27.1 mt -66.39 -35.01 79.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.191 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 45.7 m -73.46 -44.65 57.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.02 -35.71 59.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.046 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.49 170.2 8.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.56 116.27 31.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.88 132.98 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -138.06 -26.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.782 0.325 . . . . 0.0 110.776 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 22.5 m -68.06 -39.21 83.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 0.0 110.551 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 528' ' ' PRO . 9.8 m -121.06 138.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.671 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -113.41 175.36 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -31.34 53.99 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.402 0.546 . . . . 0.0 112.174 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.65 -28.09 65.36 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 42.3 m80 -77.65 -11.91 59.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.543 . . . . 0.0 110.965 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 0.58 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 59.2 m-85 -107.76 126.99 53.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.774 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 78.4 p -136.42 137.99 41.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.443 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.3 m-85 -106.47 -3.41 20.95 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.798 -176.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.3 m -61.8 118.6 40.03 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.15 12.82 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.924 2.416 . . . . 0.0 112.287 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -99.25 1.18 44.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.469 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 55.3 tpp -98.86 103.5 19.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.405 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 87.0 Cg_endo -80.18 71.22 7.16 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 123.001 2.467 . . . . 0.0 112.569 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 525' ' ' VAL . 69.0 t -106.39 -71.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -176.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.26 -112.12 0.96 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.546 -1.311 . . . . 0.0 112.352 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -110.49 141.34 43.75 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.36 0.6 . . . . 0.0 110.346 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 13.1 m-85 -119.85 132.57 55.61 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.037 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 595' ' ' PHE . 9.9 m-85 -130.97 152.33 50.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.112 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -132.82 131.64 41.27 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.0 121.3 21.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 598' ' ' ARG . 19.3 ttt180 -134.14 158.08 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.022 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -100.46 140.7 34.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.489 0.661 . . . . 0.0 110.831 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.541 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.2 p -134.35 165.0 39.94 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.815 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.541 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.18 -12.58 23.87 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.472 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.4 pt-20 -99.98 -13.62 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.001 0.429 . . . . 0.0 110.464 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.55 -170.48 22.33 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 119.807 -1.187 . . . . 0.0 114.068 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.25 117.61 20.42 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.426 0.632 . . . . 0.0 110.636 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -135.32 153.08 51.98 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.51 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.26 110.57 20.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.76 128.58 45.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.85 135.87 43.43 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.818 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 39.6 mt -95.6 143.16 27.12 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 614' ' ' ILE . 50.5 m -88.68 169.58 11.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.41 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.55 -34.05 56.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.165 0.291 . . . . 0.0 111.769 -175.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -67.33 -35.95 80.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 110.031 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -81.65 -30.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.089 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 618' ' ' ILE . 37.8 mt -46.18 -59.15 5.22 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.279 -176.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 37.2 Cg_endo -64.64 -28.25 60.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.347 2.031 . . . . 0.0 112.658 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.6 m -69.22 -36.68 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.065 0.46 . . . . 0.0 110.259 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.0 -38.83 66.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 174.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -57.03 -38.39 60.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.695 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 26.0 mm-40 -57.91 -36.05 71.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.734 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.11 -45.08 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.001 0.429 . . . . 0.0 111.139 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt -84.14 -2.02 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.197 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 3.1 t -68.96 -20.21 64.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -177.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 132.7 -128.08 5.04 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.662 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.096 -179.515 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.16 131.98 47.41 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -90.71 113.41 25.5 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.12 152.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -106.73 148.91 27.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.189 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.73 148.1 34.56 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.137 175.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.47 -42.49 60.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.284 . . . . 0.0 112.167 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -57.25 -40.33 77.41 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.446 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.5 mm-40 -71.85 -38.38 70.11 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.326 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 521' ' ' THR . 87.9 t -66.83 -30.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.36 -15.26 43.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.842 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.63 -54.24 33.23 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.483 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 18.7 Cg_endo -60.18 -29.81 89.9 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.704 2.27 . . . . 0.0 112.597 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 41.5 mt -68.78 -19.93 64.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.527 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -86.69 -21.41 26.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.255 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -92.78 -27.12 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.837 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.86 -25.82 0.92 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.047 -1.073 . . . . 0.0 112.606 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.52 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.8 m95 -63.83 157.15 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.653 0.263 . . . . 0.0 110.558 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -133.78 158.87 42.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.602 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 8.4 ttt180 -143.29 120.94 11.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -112.22 139.13 48.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.22 115.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . 0.478 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 89.4 mtt180 -106.6 119.48 39.4 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.482 -174.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.03 123.61 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.305 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -130.52 147.32 52.19 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.069 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.3 tptm -75.61 124.77 27.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.761 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.68 167.47 24.45 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.247 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.5 m -71.65 -18.55 62.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.151 0.5 . . . . 0.0 110.457 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.24 -54.37 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.607 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.09 -176.82 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.405 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 42.4 m95 -82.26 125.07 30.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.525 176.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -126.19 157.83 37.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.437 0.637 . . . . 0.0 111.525 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -150.79 150.74 22.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.863 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.83 148.5 47.18 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.6 0.714 . . . . 0.0 110.673 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 51.2 m -108.31 125.83 52.14 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.029 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -109.4 149.27 29.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.193 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.587 ' HE2' ' CE1' ' A' ' 552' ' ' TYR . 19.5 m-85 -132.28 154.83 49.28 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.099 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.9 131.88 39.63 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.53 131.43 16.58 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.233 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 -26.94 44.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.505 2.137 . . . . 0.0 112.179 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.2 p -119.44 6.31 11.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.703 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.55 -146.1 4.38 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.661 -1.256 . . . . 0.0 113.324 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 0.0 111.573 -176.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 143.32 45.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.483 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -126.17 143.79 51.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.293 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -135.27 7.93 3.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.791 0.805 . . . . 0.0 109.899 176.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.487 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 0.1 OUTLIER -118.2 145.39 45.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.402 175.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.751 ' CE1' HD12 ' A' ' 567' ' ' ILE . 11.0 t80 -54.41 -49.8 88.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.493 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.0 Cg_endo -64.0 -14.04 41.02 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.317 2.011 . . . . 0.0 112.711 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 36.8 mt-10 -84.37 -28.57 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.258 0.552 . . . . 0.0 111.057 176.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 62.2 t -78.87 -43.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.491 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.751 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -60.17 -32.9 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 19.8 ptpt -73.74 -38.06 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.173 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.619 ' HE1' ' CE2' ' A' ' 569' ' ' TYR . 33.9 t80 -64.91 -42.38 94.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -175.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.7 mt -68.2 -38.9 82.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.575 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.7 t -73.03 -40.42 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.544 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.8 mtp180 -77.19 -42.88 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 111.53 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -98.15 -177.12 3.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.842 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.23 115.9 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.103 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 47.0 t -146.16 123.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -123.66 -27.33 4.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 p -68.95 -43.85 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 111.054 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 528' ' ' PRO . 2.4 m -117.61 137.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.705 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -113.44 171.49 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -31.63 58.93 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -176.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -57.33 -30.62 64.95 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.509 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 40.8 m80 -74.26 -12.56 60.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.986 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.667 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 49.4 m-85 -109.83 126.38 53.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.541 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 69.2 p -134.82 137.75 43.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.642 ' HE1' ' CE2' ' A' ' 585' ' ' PHE . 60.5 m-85 -106.21 -2.38 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.036 0.446 . . . . 0.0 111.199 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.0 m -62.73 115.18 15.2 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.955 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.52 12.91 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.839 2.359 . . . . 0.0 112.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -98.83 1.04 45.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.68 0.753 . . . . 0.0 109.017 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 53.7 tpp -93.62 108.29 33.12 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.771 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.2 55.95 5.26 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.272 2.648 . . . . 0.0 112.472 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 43.8 t -137.17 140.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.328 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 104.08 -122.79 7.51 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.01 140.78 36.31 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.646 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 14.4 m-85 -119.85 132.05 55.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.014 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.629 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 21.2 m-85 -129.12 153.35 47.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 0.0 110.402 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -130.43 123.75 30.52 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.81 120.84 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -132.14 158.21 42.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.86 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -99.67 143.83 29.45 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.819 0.818 . . . . 0.0 110.845 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.9 p -135.39 164.59 42.61 Favored Pre-proline 0 C--N 1.306 -1.32 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.173 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.9 Cg_endo -61.87 -11.24 20.19 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.584 2.19 . . . . 0.0 112.704 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.585 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 14.9 pt-20 -102.63 -15.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.561 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.18 -171.71 23.53 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.681 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.14 123.71 29.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.313 0.578 . . . . 0.0 110.141 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.428 ' NE2' HG22 ' A' ' 600' ' ' THR . 9.0 pt20 -136.43 150.76 48.91 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.373 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 64.4 m95 -87.06 110.11 19.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.69 124.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.207 0.527 . . . . 0.0 110.548 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -73.19 136.06 44.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.049 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 24.4 mt -98.52 145.37 26.86 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 614' ' ' ILE . 16.8 p -80.69 167.38 20.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.428 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.19 -35.08 48.11 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.11 -31.73 64.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.03 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . 0.444 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 35.6 mt-10 -81.66 -28.54 33.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.925 0.393 . . . . 0.0 110.948 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 610' ' ' SER . 35.2 mt -46.32 -58.55 6.36 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.1 Cg_endo -60.71 -33.27 93.37 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.533 2.155 . . . . 0.0 112.89 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.26 -35.26 77.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.452 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -72.81 -40.59 65.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 614' ' ' ILE . 67.9 mt -56.98 -44.27 82.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.829 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 35.3 mm-40 -54.91 -34.11 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.81 -43.25 25.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.3 pt -75.92 -11.43 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.457 0.646 . . . . 0.0 109.98 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.3 m -84.03 124.19 30.81 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.036 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -85.59 -49.99 4.16 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.102 177.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.13 146.81 32.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -124.66 121.65 35.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.8 mt -87.21 134.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -104.64 146.25 29.19 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.992 0.425 . . . . 0.0 110.757 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.477 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.94 147.02 33.31 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 175.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.2 -42.96 61.15 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.938 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.26 -40.61 78.02 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.556 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.56 -35.97 70.79 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 111.273 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.478 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 94.0 t -68.4 -30.7 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.345 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.75 -15.11 49.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.769 178.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -52.72 -50.92 78.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 122.727 0.411 . . . . 0.0 111.615 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.6 Cg_exo -60.22 -32.39 94.32 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.189 1.926 . . . . 0.0 112.295 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.6 mt -67.13 -20.71 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.471 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 31.9 mt-30 -86.11 -21.38 27.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.325 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.021 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . 0.493 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 154.06 -28.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.731 -1.223 . . . . 0.0 113.18 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.6 m95 -62.21 156.42 21.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 110.662 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -131.8 158.1 42.15 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 7.3 ttt180 -142.9 120.14 11.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.26 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -113.58 139.38 49.05 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.42 117.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.7 mtt180 -102.67 119.86 39.57 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.102 -175.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 32.6 mt -114.71 122.75 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-O 121.449 0.642 . . . . 0.0 110.412 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -130.67 148.28 52.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.855 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.0 126.68 30.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.764 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.64 167.02 30.68 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.668 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.1 m -68.75 -25.0 64.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.219 0.533 . . . . 0.0 110.09 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -109.38 -57.78 2.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.714 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.67 -177.87 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.467 0.651 . . . . 0.0 111.818 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -84.98 125.29 32.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.869 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -125.72 149.63 48.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.816 0.817 . . . . 0.0 111.842 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -142.25 150.45 22.11 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.61 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.87 149.81 45.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.564 0.697 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 56.2 m -106.44 126.05 51.76 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.087 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -108.98 149.05 29.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.657 ' HD1' ' CD2' ' A' ' 552' ' ' TYR . 17.0 m-85 -133.69 152.03 51.79 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.661 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.621 ' HD2' ' CD1' ' A' ' 553' ' ' TYR . 56.7 m-85 -133.91 132.87 40.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.372 -178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.02 139.18 32.19 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.986 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . 0.493 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 74.8 Cg_endo -78.42 -7.23 15.88 Favored 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 123.011 2.474 . . . . 0.0 112.341 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 48.6 t -141.35 5.54 1.86 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.339 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.62 -149.73 5.46 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.253 -169.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.448 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -74.82 -177.19 3.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.929 -0.636 . . . . 0.0 111.81 -175.251 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.74 140.36 50.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.101 0.477 . . . . 0.0 110.703 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -127.6 148.96 50.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.977 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.35 10.21 3.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.601 0.715 . . . . 0.0 109.526 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -117.08 145.78 43.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.775 176.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.646 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 8.9 t80 -60.48 -49.59 89.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.601 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.525 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 46.8 Cg_endo -66.71 -10.92 29.85 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.216 1.944 . . . . 0.0 112.643 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.7 -26.8 22.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 111.079 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 64.9 t -79.45 -43.28 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 563' ' ' PHE . 7.9 mm -59.01 -31.28 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.035 0.445 . . . . 0.0 111.393 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.3 ptpt -74.65 -36.32 62.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.079 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.654 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 22.8 t80 -63.65 -42.2 98.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.03 -175.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.32 -42.15 84.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.146 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 19.7 m -72.96 -40.94 64.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.657 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -77.0 -17.03 59.13 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.459 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -123.1 -167.08 1.54 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.8 t -115.74 115.42 49.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 59.6 t -150.13 105.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.98 -9.37 10.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 21.5 m -73.77 -43.38 59.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 0.0 109.862 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 12.3 m -120.79 141.62 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.947 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.11 175.42 5.45 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.414 ' HA ' ' HD1' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.007 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.89 -27.51 65.29 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 47.2 m80 -73.0 -11.41 60.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.379 0.609 . . . . 0.0 110.632 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 583' ' ' PHE . 48.2 m-85 -108.97 127.26 53.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.515 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 50.9 p -132.92 133.53 43.35 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 0.416 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.8 m-85 -102.64 -6.08 23.13 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.501 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 58.5 m -61.79 116.95 24.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.701 171.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.93 13.54 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.727 2.285 . . . . 0.0 112.172 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -94.24 -2.0 53.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 52.6 tpp -94.79 108.19 35.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.039 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.2 55.64 5.45 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.245 2.63 . . . . 0.0 112.814 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.27 141.41 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 102.0 -124.77 8.31 Favored Glycine 0 N--CA 1.435 -1.408 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -138.99 140.05 38.08 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.0 131.27 55.1 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.053 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.634 ' HE1' ' CE2' ' A' ' 595' ' ' PHE . 18.3 m-85 -130.65 153.92 48.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.313 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -131.51 126.69 35.58 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.187 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.99 121.68 22.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -135.17 156.96 48.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.477 -172.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.54 134.24 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.573 0.702 . . . . 0.0 111.576 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.609 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.3 p -130.18 164.91 37.58 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.022 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.8 Cg_endo -61.65 -11.59 21.1 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.741 2.294 . . . . 0.0 112.892 177.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.609 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.6 pt-20 -99.68 -17.62 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.235 0.54 . . . . 0.0 109.823 175.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.87 -170.04 23.63 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.596 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.63 122.46 25.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.35 0.595 . . . . 0.0 110.145 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.413 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.1 pt20 -136.31 149.5 48.45 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . 0.401 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 66.1 m95 -87.17 110.38 20.11 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.85 127.41 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.218 0.532 . . . . 0.0 110.573 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.78 134.97 43.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.95 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.7 mt -95.13 143.37 26.63 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.4 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -81.37 166.6 20.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -54.33 -33.88 59.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.428 0.156 . . . . 0.0 111.339 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.87 -29.99 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.679 0.276 . . . . 0.0 111.145 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.2 -27.98 32.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 618' ' ' ILE . 34.7 mt -47.91 -58.12 8.57 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.738 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.529 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.0 Cg_endo -59.6 -32.94 96.8 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.646 2.23 . . . . 0.0 112.509 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.3 m -63.02 -40.99 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.07 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.9 mpt_? -72.87 -39.7 66.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.093 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.8 mt -56.78 -38.79 60.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.82 -34.36 75.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.22 -44.22 30.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.924 0.392 . . . . 0.0 111.181 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 617' ' ' ARG . 46.6 pt -85.56 -2.05 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.24 -176.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 5.8 t -57.82 164.94 1.92 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.357 -175.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -75.37 73.21 1.61 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.245 -0.503 . . . . 0.0 112.838 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.131 0 C-N-CA 123.308 0.643 . . . . 0.0 110.741 177.746 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.571 0.224 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.6 130.35 38.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -93.05 111.32 22.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 174.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.18 134.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.407 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.33 143.67 26.05 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.417 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.4 OUTLIER -99.52 153.41 37.79 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.41 174.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 7.8 Cg_endo -51.5 -43.46 49.95 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.029 1.819 . . . . 0.0 111.429 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.417 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 13.6 pt-20 -55.67 -42.49 75.17 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.431 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 7.4 mm-40 -69.57 -35.94 75.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.536 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 63.7 t -74.71 -31.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.999 0.428 . . . . 0.0 111.191 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.476 ' HB3' HG11 ' A' ' 591' ' ' VAL . 6.1 ptm180 -81.64 -15.77 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.55 -50.42 66.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 122.42 0.288 . . . . 0.0 111.066 177.23 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.536 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 40.9 Cg_exo -57.3 -36.62 98.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.522 2.148 . . . . 0.0 112.249 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 65.6 mt -63.33 -27.1 69.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.369 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -81.91 -19.69 40.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.873 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -99.12 -21.95 15.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 147.23 -23.85 1.57 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.064 -1.065 . . . . 0.0 112.79 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.494 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 56.3 m95 -64.58 160.64 19.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.575 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -128.9 159.58 35.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.683 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 2.2 ttt180 -145.8 118.72 8.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.448 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.85 141.22 48.38 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.2 t -116.51 118.84 60.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.223 0.535 . . . . 0.0 109.67 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -101.74 117.91 35.84 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.303 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.1 mt -112.67 122.85 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.605 0.717 . . . . 0.0 110.795 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -128.6 146.34 50.88 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.764 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.416 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 24.5 tptm -73.52 122.35 22.06 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.47 169.16 32.67 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.271 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.8 m -66.21 -26.36 67.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.075 0.465 . . . . 0.0 110.487 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -106.56 -59.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.64 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -140.97 -170.06 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -176.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.416 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.7 m95 -85.47 124.5 32.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.582 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -128.2 159.96 33.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.508 0.67 . . . . 0.0 111.908 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -144.71 151.17 23.31 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.951 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -133.76 145.03 49.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.269 0.557 . . . . 0.0 109.992 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.8 m -107.81 124.58 50.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.975 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -109.56 147.77 32.42 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.654 0.74 . . . . 0.0 110.794 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 0.683 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.0 m-85 -130.1 152.13 49.88 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.185 177.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.644 ' HE2' ' CE1' ' A' ' 553' ' ' TYR . 28.9 m-85 -135.75 129.6 32.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.45 27.91 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.007 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.79 -6.94 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.908 2.405 . . . . 0.0 112.522 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.63 7.02 1.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.234 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.84 -148.18 5.01 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.096 -1.05 . . . . 0.0 113.046 -171.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -176.2 3.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.605 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.45 140.08 50.07 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.413 0.625 . . . . 0.0 110.601 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.16 144.76 50.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.518 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.44 8.64 2.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.761 0.791 . . . . 0.0 110.227 177.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.447 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.7 mm100 -117.29 145.49 43.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.673 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.658 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 9.6 t80 -55.64 -48.93 95.4 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.199 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.7 Cg_endo -62.23 -16.61 52.03 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.54 2.16 . . . . 0.0 112.622 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 92.7 mt-10 -83.84 -28.5 27.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.806 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.598 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.7 t -78.41 -44.82 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.669 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -57.83 -33.5 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.081 0.467 . . . . 0.0 111.334 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 18.9 ptpt -73.71 -39.1 64.58 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.27 -40.67 96.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.884 0.373 . . . . 0.0 110.255 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.6 mt -67.29 -32.26 73.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.8 t -73.83 -31.79 63.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.804 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 31.8 mtp180 -83.1 -34.46 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.819 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -115.62 152.96 32.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 38.8 t -79.67 116.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.89 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.9 111.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.022 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -108.13 -21.9 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 16.4 p -72.52 -45.46 59.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.489 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.0 m -122.71 137.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.364 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -113.99 175.22 5.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.445 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.53 -32.4 40.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.3 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.55 -29.63 69.26 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.52 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 44.8 m80 -75.06 -11.21 60.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.656 0.741 . . . . 0.0 110.571 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.654 ' HE2' ' CE1' ' A' ' 583' ' ' PHE . 56.1 m-85 -107.71 125.25 51.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.366 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 34.4 t -135.96 134.66 38.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.624 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 57.8 m-85 -105.23 -2.42 24.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.816 -175.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 43.6 m -61.91 118.24 36.87 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.52 11.13 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.786 2.324 . . . . 0.0 112.001 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -100.85 2.33 40.92 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.47 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 57.5 tpp -95.36 103.71 13.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.815 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.52 67.09 8.51 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.869 2.379 . . . . 0.0 112.691 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.49 HG22 ' HB ' ' A' ' 525' ' ' VAL . 63.7 t -105.29 -71.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -173.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.84 -105.15 0.92 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.647 -1.263 . . . . 0.0 112.345 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.409 0.624 . . . . 0.0 110.733 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 0.41 ' HB2' HG12 ' A' ' 614' ' ' ILE . 12.9 m-85 -122.03 132.29 54.44 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.425 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 595' ' ' PHE . 17.8 m-85 -130.32 154.55 47.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.59 129.51 37.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -74.44 125.16 27.95 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -133.32 158.89 41.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.33 -175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.82 140.69 32.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.835 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.557 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.7 p -133.5 164.21 45.61 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.089 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 21.5 Cg_endo -61.03 -11.51 18.75 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.775 2.317 . . . . 0.0 112.664 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.557 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.2 pt-20 -101.83 -14.56 17.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.52 -169.45 24.32 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.84 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.41 120.69 27.16 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.929 -0.635 . . . . 0.0 110.506 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.489 ' CD ' HG22 ' A' ' 600' ' ' THR . 1.8 pt20 -137.78 150.7 47.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.083 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -89.22 111.58 22.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 23.1 t -93.01 127.42 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.159 0.504 . . . . 0.0 110.218 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.34 135.25 44.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.809 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.65 142.62 27.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.6 m -82.55 165.36 20.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -66.89 -37.6 84.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.08 -27.08 33.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 618' ' ' ILE . 29.5 mt -47.15 -58.94 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 33.0 Cg_endo -64.42 -27.57 62.72 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.247 1.965 . . . . 0.0 112.289 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 -39.83 92.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.292 0.568 . . . . 0.0 109.7 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.432 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.3 mpt_? -72.63 -39.07 67.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.674 176.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.505 ' O ' ' HB ' ' A' ' 622' ' ' THR . 58.6 mt -56.84 -38.23 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.014 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.6 mm-40 -59.68 -35.09 73.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.946 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.5 -43.97 25.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 617' ' ' ARG . 36.9 pt -84.59 -1.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.137 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.3 t -63.71 -17.74 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 111.281 -176.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 118.92 69.49 0.33 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.8 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.107 -179.178 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -85.77 148.4 25.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -137.9 123.0 19.16 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.247 0.546 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.3 mt -90.74 137.61 21.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.185 0.517 . . . . 0.0 111.078 -175.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.552 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.02 145.19 30.11 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.776 173.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.24 -42.56 59.22 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.5 2.134 . . . . 0.0 111.794 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.1 -42.65 81.17 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.109 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.2 mm-40 -72.75 -28.95 62.93 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 111.495 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 521' ' ' THR . 58.2 t -74.57 -32.9 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 4.4 ptm180 -78.84 -16.43 57.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.255 -0.278 . . . . 0.0 111.019 175.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.76 -53.91 37.21 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 122.822 0.449 . . . . 0.0 111.928 179.13 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.521 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.5 Cg_endo -59.97 -30.0 90.66 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.2 1.934 . . . . 0.0 112.321 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 52.5 mt -65.99 -24.44 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.249 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 36.0 mt-30 -84.11 -17.6 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.634 -177.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -101.19 -21.78 14.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.75 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . 0.46 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 149.62 -25.21 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.943 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.546 ' O ' ' HD2' ' A' ' 534' ' ' ARG . 66.0 m95 -63.23 157.19 23.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . 0.546 ' HD2' ' O ' ' A' ' 533' ' ' TRP . 3.2 mpt_? -127.91 159.14 35.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 174.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.647 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.4 ttt180 -146.38 118.64 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.535 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -119.26 141.52 48.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.664 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.9 t -116.79 122.17 69.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.168 0.509 . . . . 0.0 110.158 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -104.94 120.59 41.82 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.912 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mt -114.39 123.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.329 0.585 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.35 146.64 51.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.006 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.454 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 47.3 tptt -79.79 129.09 34.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.986 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -100.77 169.53 21.24 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.87 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 51.9 m -64.96 -23.72 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -107.46 -59.24 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.047 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -135.14 -179.99 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.88 0.848 . . . . 0.0 111.974 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.454 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.3 m95 -86.25 124.19 32.35 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.246 170.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -128.39 148.93 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.967 0.889 . . . . 0.0 112.168 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -135.9 151.87 20.84 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.912 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.62 148.02 45.47 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.498 0.665 . . . . 0.0 110.337 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 59.5 m -107.01 125.36 50.91 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.955 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -109.05 148.44 30.79 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.712 0.768 . . . . 0.0 110.741 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 0.647 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.9 m-85 -131.36 152.05 50.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.957 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.614 ' HE2' ' CE1' ' A' ' 553' ' ' TYR . 25.7 m-85 -134.9 129.5 34.46 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.05 135.68 37.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.178 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . 0.46 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 63.9 Cg_endo -74.37 -7.01 19.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.998 2.465 . . . . 0.0 112.354 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 10.3 p -143.95 7.3 1.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.116 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -147.79 4.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.757 -1.211 . . . . 0.0 113.518 -169.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -176.49 3.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.99 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.01 143.18 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.105 0.478 . . . . 0.0 110.589 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -130.98 147.82 52.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.697 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -140.63 13.36 2.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.754 0.788 . . . . 0.0 110.004 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.408 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.0 mm100 -120.35 145.21 47.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.242 173.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.731 ' CE1' HD12 ' A' ' 567' ' ' ILE . 12.6 t80 -56.96 -49.65 92.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.454 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.575 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 36.0 Cg_endo -64.2 -15.41 49.32 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.21 1.94 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 37.7 mm-40 -86.54 -26.59 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.269 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 41.8 t -78.4 -43.45 26.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.791 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.731 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -57.72 -33.23 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 121.086 0.469 . . . . 0.0 111.308 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.0 ptpt -74.0 -37.37 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.275 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.666 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 32.9 t80 -61.97 -42.09 98.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.479 . . . . 0.0 109.903 -177.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 21.9 mt -66.78 -34.41 77.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.8 t -73.34 -37.91 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.033 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 19.8 mtp180 -73.78 -30.6 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.63 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -115.52 176.7 4.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.32 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 63.2 t -99.82 116.37 42.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 54.4 t -145.19 108.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.91 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -106.54 -27.85 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.082 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 m -68.93 -43.95 74.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.895 0.378 . . . . 0.0 111.609 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 528' ' ' PRO . 4.3 m -121.03 138.95 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.437 0.637 . . . . 0.0 112.596 -178.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -112.54 172.64 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.667 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.484 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -51.4 -33.44 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.423 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.96 -28.83 69.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.488 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 49.7 m80 -73.46 -11.65 60.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.0 110.71 -177.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 0.562 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 54.8 m-85 -107.72 123.73 48.96 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.207 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 73.3 p -135.54 133.82 38.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 65.3 m-85 -103.44 -0.45 29.96 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.379 -176.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 14.9 m -61.15 115.8 16.09 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.645 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.96 10.53 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.81 2.34 . . . . 0.0 112.072 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -96.58 -0.76 48.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.446 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.7 tpp -99.31 104.38 26.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.514 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.415 ' HB3' HG22 ' A' ' 614' ' ' ILE . 91.9 Cg_endo -80.99 74.95 5.3 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.89 2.393 . . . . 0.0 112.259 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.482 HG11 ' HB3' ' A' ' 526' ' ' ARG . 75.1 t -108.52 -69.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -89.78 -104.94 1.16 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.503 -1.332 . . . . 0.0 112.383 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.25 140.44 49.55 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.384 0.612 . . . . 0.0 110.999 -175.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.9 m-85 -121.49 132.15 54.55 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.285 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.64 154.21 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.42 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -136.09 129.83 32.46 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.23 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 125.87 29.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 109.93 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -132.97 158.7 42.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.918 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.97 137.58 36.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.724 0.774 . . . . 0.0 111.066 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.528 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.4 p -129.44 164.67 38.08 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 114.728 -1.124 . . . . 0.0 108.981 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.526 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 29.4 Cg_endo -63.32 -11.56 26.12 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.447 2.098 . . . . 0.0 112.434 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.0 pt-20 -100.46 -15.1 18.01 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.915 0.388 . . . . 0.0 110.501 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.0 -166.38 25.17 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.649 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.75 120.96 27.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.361 0.601 . . . . 0.0 110.406 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.469 ' CD ' HG22 ' A' ' 600' ' ' THR . 2.0 pt20 -136.2 150.8 49.16 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.249 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -87.92 110.56 20.64 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.6 t -92.65 127.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.314 0.578 . . . . 0.0 110.656 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -74.48 134.89 42.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.045 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.46 143.09 27.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 8.2 m -81.28 167.02 19.99 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.36 -34.19 56.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.058 0.224 . . . . 0.0 111.474 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.91 -25.41 52.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.613 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.05 -28.91 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.143 0.497 . . . . 0.0 110.28 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.454 ' O ' HG13 ' A' ' 618' ' ' ILE . 44.4 mt -48.39 -58.68 7.55 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.244 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.564 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 29.4 Cg_endo -62.84 -29.08 76.2 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.318 2.012 . . . . 0.0 112.378 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 31.9 t -66.11 -39.53 90.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 109.511 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -72.47 -39.49 67.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.979 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.479 ' O ' ' HB ' ' A' ' 622' ' ' THR . 64.0 mt -57.31 -38.39 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.106 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -63.18 -33.99 76.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.838 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.28 45.1 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.925 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 34.9 pt -78.04 -4.74 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 619' ' ' GLN . 1.0 OUTLIER -74.34 -18.9 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.941 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -145.56 -81.2 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.102 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.543 -175.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -91.07 179.98 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.18 117.79 34.89 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.7 mt -96.36 140.36 17.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -88.71 144.86 25.99 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.402 0.62 . . . . 0.0 110.977 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -103.19 149.41 36.9 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.447 171.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.09 -43.19 54.58 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.284 1.989 . . . . 0.0 111.723 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.26 -42.19 77.03 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.002 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 17.8 mm-40 -70.83 -33.28 70.52 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 111.062 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.591 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 57.5 t -74.43 -31.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.0 0.429 . . . . 0.0 111.193 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.0 ptm180 -78.64 -16.45 57.33 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.078 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.22 -49.98 66.81 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 122.424 0.29 . . . . 0.0 111.441 178.319 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -55.7 -37.97 94.84 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.481 2.12 . . . . 0.0 112.252 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 56.5 mt -65.83 -24.27 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 16.0 mt-30 -88.85 -7.85 55.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.596 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -112.89 -21.13 11.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.99 -27.37 0.91 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.253 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.46 163.49 15.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -130.53 157.51 42.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.62 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 2.1 ttt180 -146.69 119.03 8.37 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.773 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -118.84 141.84 48.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.627 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.79 122.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.129 0.49 . . . . 0.0 110.186 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . 0.452 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.59 120.53 41.51 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.919 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.6 mt -113.49 122.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.383 0.611 . . . . 0.0 110.669 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -127.53 146.46 50.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.93 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.535 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -80.46 129.89 34.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.401 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.95 162.22 15.49 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.659 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 17.5 m -67.47 -20.03 65.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.896 0.379 . . . . 0.0 110.682 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.53 -49.4 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -153.22 -178.76 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.868 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.535 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.2 m95 -86.32 125.65 33.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.887 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -127.57 159.7 33.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 111.588 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.4 151.22 23.45 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.123 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -135.25 146.8 48.94 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.476 0.655 . . . . 0.0 110.288 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 53.2 m -108.18 125.58 51.8 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.743 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -108.54 146.95 32.48 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.792 0.806 . . . . 0.0 110.515 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.645 ' HE1' ' CE2' ' A' ' 552' ' ' TYR . 0.8 OUTLIER -131.94 149.57 52.4 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.807 178.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 553' ' ' TYR . 25.7 m-85 -134.25 128.5 34.0 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.9 132.19 26.19 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.84 -6.34 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.605 2.203 . . . . 0.0 112.299 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -138.55 5.39 2.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.158 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.35 -142.43 3.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.101 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.412 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -79.83 -176.3 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.449 -0.375 . . . . 0.0 111.145 -176.657 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.14 140.96 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.16 0.505 . . . . 0.0 110.391 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.542 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.76 144.83 51.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.61 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.496 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.91 8.24 2.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.676 0.75 . . . . 0.0 110.281 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.429 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.8 mm100 -115.69 146.07 42.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.989 172.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.619 ' HE1' ' CE2' ' A' ' 563' ' ' PHE . 10.2 t80 -56.79 -48.51 97.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.174 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.5 Cg_endo -62.26 -15.43 44.52 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.492 2.128 . . . . 0.0 112.693 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.542 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 43.5 mt-10 -83.71 -28.91 27.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.146 0.498 . . . . 0.0 111.127 175.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 58.4 t -78.83 -43.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.593 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.633 HD12 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -58.2 -32.98 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.497 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.9 ptpt -74.05 -38.78 63.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 178.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . 1.665 ' HD1' ' CD2' ' A' ' 569' ' ' TYR . 36.8 t80 -63.34 -42.6 98.96 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -177.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.8 mt -66.73 -33.19 75.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.476 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -73.26 -44.54 59.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.838 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -70.43 -37.65 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.373 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -103.97 -179.69 4.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 44.6 t -106.83 116.35 50.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.6 t -146.87 118.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -121.51 -21.27 6.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 m -68.82 -41.63 78.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.146 0.498 . . . . 0.0 110.292 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 528' ' ' PRO . 14.0 m -121.35 138.67 50.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.739 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -113.36 175.82 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.43 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.82 -32.09 51.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -177.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.01 -26.47 68.26 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.521 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.1 m80 -76.0 -11.39 59.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.575 0.702 . . . . 0.0 110.471 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -106.91 124.96 50.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.449 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.3 t -135.9 132.51 36.61 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 585' ' ' PHE . 58.7 m-85 -104.13 2.73 32.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 18.9 m -61.62 115.67 16.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.63 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.32 10.3 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.894 2.396 . . . . 0.0 111.949 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -98.54 -0.19 43.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 53.2 tpp -98.02 104.72 23.69 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.201 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -80.4 68.28 8.36 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 123.14 2.56 . . . . 0.0 112.775 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 526' ' ' ARG . 77.2 t -101.17 -70.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -96.61 -109.37 2.57 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.698 -1.239 . . . . 0.0 112.502 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 5.3 m-20 -103.45 137.17 41.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 -175.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -122.93 132.08 54.01 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.057 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 23.3 m-85 -129.86 153.69 48.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.615 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -132.16 126.66 34.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.98 124.42 26.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.039 0.447 . . . . 0.0 110.074 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -131.48 158.63 40.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.475 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.07 137.03 36.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.669 0.747 . . . . 0.0 111.384 175.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.534 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 19.0 p -129.69 164.57 39.14 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.982 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.8 Cg_endo -62.37 -10.56 19.17 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.611 2.207 . . . . 0.0 112.693 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.526 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.0 pt-20 -102.06 -12.68 17.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.101 0.476 . . . . 0.0 110.26 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 134.01 -162.26 24.46 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.549 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.54 126.99 35.25 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.545 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -141.69 152.97 44.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.524 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . 0.452 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 74.4 m95 -85.77 111.6 20.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 124.24 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.234 0.54 . . . . 0.0 110.503 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -73.53 135.28 43.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.346 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 24.2 mt -96.36 143.51 27.34 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.401 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.6 m -79.07 164.76 24.05 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 174.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.419 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.63 -33.41 46.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -79.78 -24.18 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.708 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -82.03 -27.05 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.077 0.465 . . . . 0.0 110.552 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.501 ' O ' HG13 ' A' ' 618' ' ' ILE . 46.1 mt -47.4 -59.02 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.012 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.98 -29.66 82.21 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.49 2.127 . . . . 0.0 112.795 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.0 m -66.2 -39.34 89.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.197 0.522 . . . . 0.0 109.94 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.49 -38.92 68.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.806 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.8 mt -56.64 -39.03 60.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.861 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.8 mm-40 -59.78 -34.86 73.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.62 39.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.6 pt -78.64 -2.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 619' ' ' GLN . 1.0 OUTLIER -73.52 -29.56 62.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.279 179.037 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -167.13 -92.84 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.658 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.148 -176.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.813 0.34 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.74 154.09 24.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -111.14 115.19 28.98 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.8 mt -91.3 142.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.948 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -87.89 142.22 27.97 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.352 0.596 . . . . 0.0 110.82 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.458 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.53 149.77 37.78 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.333 172.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -51.53 -43.46 50.11 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.313 2.009 . . . . 0.0 112.283 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.57 -42.41 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -71.22 -33.96 70.37 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.541 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 76.2 t -74.45 -30.77 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 111.029 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 10.6 ptp180 -81.85 -15.0 55.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.676 175.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.417 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.29 -50.21 71.98 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.468 0.307 . . . . 0.0 110.973 177.264 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 48.4 Cg_exo -56.98 -37.84 97.48 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.307 2.004 . . . . 0.0 112.167 174.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 61.6 mt -65.31 -20.05 66.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.2 mt-30 -84.94 -28.48 25.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.034 0.445 . . . . 0.0 110.655 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -93.25 -24.59 18.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.294 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.81 -23.2 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.084 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.504 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 59.0 m95 -66.57 156.13 35.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 0.0 110.419 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -125.72 157.68 36.76 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.639 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.5 ttt180 -146.83 118.47 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.637 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.25 141.96 47.65 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.871 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.92 122.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.103 0.478 . . . . 0.0 110.196 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.15 118.9 37.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.219 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.4 mt -112.03 123.3 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -131.16 145.58 52.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.895 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -75.58 120.71 21.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.52 169.31 25.92 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.568 -172.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.6 t -68.06 -22.56 64.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.168 0.509 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -105.67 -51.44 3.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.6 -169.8 3.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -83.35 124.55 30.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -125.16 160.42 29.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.663 0.744 . . . . 0.0 111.803 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.43 151.44 23.69 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.433 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.1 147.92 39.31 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.514 0.674 . . . . 0.0 110.67 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.441 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -109.11 126.45 53.21 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.212 -177.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -109.24 147.84 31.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.614 0.721 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 0.639 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.2 m-85 -131.75 154.92 48.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.136 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -136.09 132.0 35.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.88 131.69 21.19 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.315 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.93 -6.87 19.78 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.758 2.305 . . . . 0.0 112.424 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 29.8 m -136.61 4.16 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.323 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -160.22 -142.54 3.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.046 -171.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.43 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.25 -177.69 2.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.279 -0.461 . . . . 0.0 110.854 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 143.72 50.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.329 0.585 . . . . 0.0 110.567 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.43 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.6 mpp? -128.35 148.82 50.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.998 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.34 12.27 3.02 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 176.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -119.0 144.79 46.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.572 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.718 ' CE1' HD12 ' A' ' 567' ' ' ILE . 11.4 t80 -57.47 -50.25 89.24 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.514 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.594 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 30.4 Cg_endo -62.55 -17.16 56.84 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.505 2.137 . . . . 0.0 112.741 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -85.53 -26.24 26.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.249 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 56.0 t -78.35 -43.37 26.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.718 HD12 ' CE1' ' A' ' 563' ' ' PHE . 10.9 mm -57.76 -33.65 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 111.378 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.594 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 16.3 ptpt -74.79 -36.98 62.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.01 -41.83 99.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.0 mt -68.37 -36.84 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.057 -178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 47.8 m -72.53 -43.4 63.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.147 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.58 -27.89 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.856 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -114.73 -177.06 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.127 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 77.2 t -107.4 117.74 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.01 0.433 . . . . 0.0 111.022 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.71 138.24 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.89 -32.72 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.731 0.3 . . . . 0.0 111.497 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 35.5 p -69.87 -41.29 75.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.5 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.74 133.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.958 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 579' ' ' ARG . 17.6 mmm180 -114.0 176.52 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -31.68 41.13 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.47 -26.33 67.82 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.46 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 43.8 m80 -79.25 -11.4 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.418 0.628 . . . . 0.0 110.804 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 1.644 ' HD2' ' CD1' ' A' ' 583' ' ' PHE . 58.6 m-85 -105.74 127.33 53.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.465 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.8 t -135.09 133.1 38.93 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.597 ' HE1' ' CE2' ' A' ' 585' ' ' PHE . 53.2 m-85 -106.32 -4.3 20.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.817 0.341 . . . . 0.0 111.577 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 23.2 m -61.45 118.24 35.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.7 173.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.07 10.08 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.881 2.387 . . . . 0.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.504 ' HG2' HG21 ' A' ' 618' ' ' ILE . 60.7 mtm180 -99.13 2.06 45.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.449 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 58.1 tpp -95.37 102.72 10.35 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.131 175.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 78.4 Cg_endo -81.25 69.3 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.771 2.314 . . . . 0.0 112.618 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 525' ' ' VAL . 73.7 t -106.45 -70.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.14 -106.05 1.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 119.534 -1.317 . . . . 0.0 112.547 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -111.03 138.43 47.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.296 0.57 . . . . 0.0 110.803 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.0 m-85 -122.07 132.47 54.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.275 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 1.647 ' HE2' ' CE1' ' A' ' 595' ' ' PHE . 16.2 m-85 -130.71 154.71 47.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.597 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -131.18 127.76 38.62 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.73 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -75.48 124.02 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -132.61 158.14 42.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.08 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.8 136.43 37.35 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.36 0.6 . . . . 0.0 110.811 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.546 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 16.0 p -130.13 164.0 43.8 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.328 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.9 Cg_endo -61.05 -12.79 24.29 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.829 2.353 . . . . 0.0 112.779 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.546 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.2 pt-20 -100.06 -17.61 17.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.004 0.43 . . . . 0.0 110.402 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.58 -168.68 24.88 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.164 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.49 123.43 29.72 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.437 ' NE2' HG22 ' A' ' 600' ' ' THR . 9.0 pt20 -138.58 150.97 46.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.098 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -88.99 110.64 21.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.63 126.47 45.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -74.26 135.33 42.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.048 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.68 144.05 25.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.3 m -80.19 164.16 23.49 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -53.11 -32.31 46.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.209 0.318 . . . . 0.0 111.655 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.89 -31.95 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.374 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . 0.425 ' HB3' ' NH1' ' A' ' 617' ' ' ARG . 31.9 mm-40 -82.05 -27.05 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 618' ' ' ILE . 34.5 mt -46.46 -58.78 6.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 28.9 Cg_endo -62.24 -28.48 79.24 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.553 2.169 . . . . 0.0 112.692 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.7 m -67.36 -39.22 85.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.0 0.429 . . . . 0.0 110.373 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 613' ' ' GLU . 9.1 mpt_? -72.45 -38.51 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.547 ' O ' ' HB ' ' A' ' 622' ' ' THR . 58.2 mt -56.83 -38.88 61.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.48 -34.44 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.04 -44.71 37.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.0 111.025 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 37.3 pt -83.3 -2.88 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.567 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.547 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -77.78 -13.96 59.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.145 0.498 . . . . 0.0 110.093 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 121.52 42.76 0.45 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.94 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.352 -0.833 . . . . 0.0 109.759 -179.082 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 581' ' ' GLU . 6.9 tmm_? -88.26 110.16 20.51 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.4 mt -96.76 147.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.072 -173.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -114.26 150.09 34.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.919 0.39 . . . . 0.0 111.371 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.517 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -103.31 146.28 32.17 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.398 172.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.39 -43.59 56.18 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.537 2.158 . . . . 0.0 112.14 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.44 -43.3 71.49 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.411 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 13.2 mm-40 -72.02 -33.09 67.77 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.712 177.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.548 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 72.2 t -71.55 -31.78 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -80.79 -15.43 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.311 175.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.53 -49.04 80.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 122.406 0.282 . . . . 0.0 111.378 178.396 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -56.43 -37.72 96.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.378 2.052 . . . . 0.0 112.422 175.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.9 mt -64.16 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 47.6 mt-30 -77.61 -20.63 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -101.18 -26.14 13.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.79 -29.09 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.71 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 57.8 m95 -61.62 159.38 13.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -128.63 159.04 36.83 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.736 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.3 tmt_? -146.33 117.73 7.95 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.191 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -118.57 140.9 49.16 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.456 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.32 122.19 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.07 0.462 . . . . 0.0 110.027 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -104.42 120.35 41.03 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.89 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.5 mt -115.1 123.69 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 121.421 0.629 . . . . 0.0 110.944 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -131.44 149.26 52.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.17 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.441 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 28.4 tptp -74.91 121.68 22.25 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.78 166.85 23.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.974 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.5 m -70.29 -19.71 63.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.136 0.493 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.78 -50.07 3.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.544 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -153.11 -174.95 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.284 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . 0.441 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 40.6 m95 -84.29 124.63 31.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.97 147.2 50.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.968 0.89 . . . . 0.0 112.056 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -133.96 151.18 20.15 Favored Glycine 0 N--CA 1.439 -1.144 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.397 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.59 148.33 40.78 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.571 0.7 . . . . 0.0 110.43 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.0 m -105.92 125.96 51.62 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.893 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -109.68 147.8 32.49 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.7 0.762 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.668 ' HD2' ' CD1' ' A' ' 552' ' ' TYR . 17.8 m-85 -130.68 151.73 50.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.832 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -134.63 128.81 33.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.94 133.84 25.03 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.523 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.69 -6.42 18.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.48 2.12 . . . . 0.0 112.381 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.76 6.71 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.298 -176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.77 -143.2 3.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.949 -1.12 . . . . 0.0 113.333 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . 0.421 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.2 OUTLIER -79.56 -175.93 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.41 -0.395 . . . . 0.0 111.228 -176.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.62 138.75 50.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.222 0.534 . . . . 0.0 110.252 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -124.15 144.62 49.8 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.08 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -139.77 10.26 2.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.777 0.798 . . . . 0.0 110.393 177.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.46 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.6 mm100 -119.15 145.51 45.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.384 173.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.647 ' HE2' ' CE1' ' A' ' 563' ' ' PHE . 9.7 t80 -53.42 -49.37 88.74 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.363 176.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.2 Cg_endo -64.56 -14.54 45.03 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.463 2.109 . . . . 0.0 113.026 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 51.4 mt-10 -83.54 -28.9 28.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.113 0.482 . . . . 0.0 111.281 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.51 -42.62 26.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.991 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.743 HD12 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -59.57 -33.04 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.7 ptpt -74.22 -38.15 63.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.028 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.09 -42.23 97.01 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.6 mt -64.66 -36.04 82.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.875 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.5 t -73.94 -43.77 57.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.68 -20.73 60.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.791 -175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.65 175.22 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.95 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.14 116.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.3 117.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.546 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -115.65 -28.28 6.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 111.076 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.6 m -70.24 -40.84 74.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.264 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 528' ' ' PRO . 10.1 m -121.69 135.46 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.383 0.611 . . . . 0.0 112.132 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -114.14 175.94 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . 0.413 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.36 -32.19 48.07 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 518' ' ' ARG . 10.3 pt-20 -61.46 -23.64 66.0 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.9 m80 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.332 0.587 . . . . 0.0 110.602 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 0.59 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 62.8 m-85 -107.0 127.22 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.79 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 35.0 t -135.78 133.37 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.638 ' HD2' ' CD1' ' A' ' 585' ' ' PHE . 51.4 m-85 -105.55 -5.5 20.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 49.9 m -61.67 119.55 48.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.14 10.68 1.68 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.062 2.508 . . . . 0.0 112.631 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -100.37 2.34 42.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.684 0.754 . . . . 0.0 109.213 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.455 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 54.9 tpp -95.81 104.79 17.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.074 176.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.68 66.67 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.076 2.517 . . . . 0.0 112.678 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' A' ' 526' ' ' ARG . 68.0 t -104.97 -72.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.22 -104.05 0.85 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.572 -1.299 . . . . 0.0 112.289 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.98 138.82 52.54 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.304 0.573 . . . . 0.0 110.565 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.654 ' HD2' ' CD1' ' A' ' 594' ' ' PHE . 10.6 m-85 -120.9 132.45 54.97 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.276 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.25 153.84 48.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 110.528 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -133.0 126.4 31.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.24 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.82 123.91 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.128 0.49 . . . . 0.0 110.08 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -132.28 156.63 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.431 -173.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.02 133.92 44.8 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.318 0.58 . . . . 0.0 111.02 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.553 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.2 p -128.3 164.65 36.23 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.393 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 27.3 Cg_endo -61.81 -10.77 18.24 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.742 2.295 . . . . 0.0 112.729 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.553 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.4 pt-20 -101.75 -17.16 16.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 110.263 176.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.88 -166.11 25.74 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.625 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.9 mt -85.8 122.21 29.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -136.57 150.09 48.42 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.252 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -87.61 110.54 20.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.25 126.81 45.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.3 0.571 . . . . 0.0 110.618 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.81 135.46 43.47 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.418 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.26 144.25 27.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.55 ' O ' HG13 ' A' ' 614' ' ' ILE . 18.0 p -78.95 168.37 19.79 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.451 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -52.22 -34.43 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.75 -28.95 50.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.322 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.96 -28.91 43.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.983 0.42 . . . . 0.0 110.567 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 610' ' ' SER . 42.7 mt -47.46 -58.4 7.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.305 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.6 Cg_endo -60.57 -31.22 92.02 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.746 2.298 . . . . 0.0 113.015 -175.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.2 t -66.38 -39.01 88.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -72.64 -39.23 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.931 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.519 ' O ' ' HB ' ' A' ' 622' ' ' THR . 62.5 mt -56.71 -38.43 57.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.2 mm-40 -60.23 -35.35 75.26 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.13 -44.6 46.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.078 0.466 . . . . 0.0 111.201 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.2 pt -85.79 -1.67 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.344 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.2 t -69.85 -16.64 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.183 0.516 . . . . 0.0 110.551 -177.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 121.61 -121.81 4.9 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.409 -179.665 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -81.65 153.06 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.106 0.479 . . . . 0.0 110.667 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -111.6 121.56 45.47 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.2 137.11 27.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.118 -176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -114.01 152.48 30.89 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.358 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.474 ' O ' HG21 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -102.52 145.35 30.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.261 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 -43.28 58.57 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.65 2.233 . . . . 0.0 112.48 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.53 -40.59 75.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.499 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -72.04 -33.31 67.89 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.381 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 521' ' ' THR . 80.0 t -72.91 -30.21 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' ARG . . . . . 0.468 ' HB3' HG11 ' A' ' 591' ' ' VAL . 13.2 ptp180 -82.08 -16.95 48.28 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.29 -0.257 . . . . 0.0 110.972 175.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.06 -53.95 33.41 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.605 0.362 . . . . 0.0 111.682 178.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' PRO . . . . . 0.502 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.1 Cg_endo -60.28 -30.04 90.25 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.373 2.049 . . . . 0.0 112.602 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 38.9 mt -65.53 -21.28 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.347 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -90.3 -7.1 54.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -127.75 56.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 85.02 -47.88 3.94 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.881 . . . . 0.0 114.023 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' TRP . . . . . 0.467 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 75.0 m95 -58.9 156.44 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.0 111.866 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -131.32 160.92 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.742 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.1 tmt_? -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.466 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.71 141.05 48.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.622 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 66.1 t -117.9 123.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.193 0.52 . . . . 0.0 110.271 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -105.03 118.86 37.61 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.541 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 50.1 mt -110.07 123.47 66.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.27 0.557 . . . . 0.0 110.223 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.85 144.39 51.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.578 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -71.27 123.61 22.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -92.98 166.87 28.96 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.684 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.1 m -69.41 -24.7 63.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 110.677 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -109.01 -48.26 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -147.87 -172.1 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.445 0.641 . . . . 0.0 111.437 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -85.68 125.36 33.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.841 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.14 159.76 33.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.389 0.614 . . . . 0.0 111.716 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -143.76 151.97 23.79 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.208 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.473 0.654 . . . . 0.0 110.151 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 44.2 m -108.49 125.68 52.07 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.881 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -109.34 148.01 31.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.787 0.803 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' 552' ' ' TYR . 15.5 m-85 -130.74 153.51 48.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.333 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' TYR . . . . . 1.64 ' HD1' ' CD2' ' A' ' 553' ' ' TYR . 36.5 m-85 -135.56 129.9 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.363 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.3 130.83 24.29 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.76 -7.2 20.39 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.653 2.235 . . . . 0.0 112.595 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 73.8 m -139.23 6.57 2.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.956 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.4 -142.62 3.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.802 -1.189 . . . . 0.0 113.174 -170.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -176.4 5.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.153 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.32 54.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.303 0.573 . . . . 0.0 110.673 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -123.4 147.26 47.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 8.16 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.587 0.708 . . . . 0.0 109.396 175.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.473 HE21 ' HA ' ' A' ' 562' ' ' GLN . 0.1 OUTLIER -120.36 145.7 46.89 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.857 177.458 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 563' ' ' PHE . 18.1 t80 -56.18 -50.71 85.94 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.06 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 45.6 Cg_endo -66.34 -12.12 34.3 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.196 1.931 . . . . 0.0 112.365 -178.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -87.13 -26.57 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 111.361 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 49.0 t -77.89 -45.24 28.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.688 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.754 HD12 ' CE1' ' A' ' 563' ' ' PHE . 6.8 mm -58.15 -32.29 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.9 ptpt -74.05 -37.34 64.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.862 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.83 -40.68 97.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.415 . . . . 0.0 109.941 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.6 mt -66.52 -34.71 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.4 t -72.95 -43.65 62.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 52.0 mtp85 -73.68 -19.72 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 -175.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -121.93 -175.53 3.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.3 t -114.48 118.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.08 120.03 28.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -109.77 -34.79 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.465 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 37.5 m -71.44 -42.88 67.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 528' ' ' PRO . 13.4 m -121.41 138.33 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -113.15 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -32.15 55.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.5 -29.38 66.22 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' HIS . . . . . 0.502 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.1 m80 -76.02 -11.54 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.308 0.575 . . . . 0.0 110.957 -177.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' PHE . . . . . 0.456 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 44.1 m-85 -106.1 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.455 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 42.4 t -135.3 132.72 38.07 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' PHE . . . . . 1.61 ' HD2' ' CD1' ' A' ' 585' ' ' PHE . 51.4 m-85 -103.18 -4.62 24.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.661 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 15.1 m -61.93 116.68 22.88 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.76 10.49 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.95 2.434 . . . . 0.0 112.204 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -100.82 3.14 41.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' A' ' 591' ' ' VAL . 53.2 tpp -100.11 101.31 13.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.055 174.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' PRO . . . . . 0.465 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 96.5 Cg_endo -79.45 74.14 5.69 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.753 2.302 . . . . 0.0 112.482 -177.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.468 HG11 ' HB3' ' A' ' 526' ' ' ARG . 74.6 t -109.14 -69.29 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -91.25 -102.5 1.29 Allowed Glycine 0 CA--C 1.506 -0.511 0 C-N-CA 119.482 -1.342 . . . . 0.0 112.73 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 22.9 m-20 -111.3 135.61 51.59 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' PHE . . . . . 1.62 ' HE1' ' CE2' ' A' ' 594' ' ' PHE . 12.8 m-85 -122.36 131.52 53.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.989 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 16.7 m-85 -131.5 154.92 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 4.4 pt-20 -131.63 131.21 43.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.78 122.96 24.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -134.51 158.29 44.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.6 -173.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -96.33 139.95 31.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.184 0.516 . . . . 0.0 110.835 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' THR . . . . . 0.539 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.3 p -135.25 163.18 52.86 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.477 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.61 -11.36 19.96 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.027 2.484 . . . . 0.0 112.831 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.539 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.3 pt-20 -101.26 -16.89 16.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.604 175.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.47 -172.16 23.14 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.558 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.9 mt -78.69 119.35 21.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.408 0.623 . . . . 0.0 110.712 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' GLN . . . . . 0.404 ' NE2' HG22 ' A' ' 600' ' ' THR . 9.2 pt20 -136.0 150.76 49.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.876 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -89.36 111.11 21.87 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.9 t -92.64 130.28 41.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.163 0.506 . . . . 0.0 110.23 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -73.74 135.14 43.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.747 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 56.2 mt -94.18 142.31 27.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.521 ' O ' HG13 ' A' ' 614' ' ' ILE . 8.8 p -78.98 166.75 22.01 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ALA . . . . . 0.418 ' HA ' HD11 ' A' ' 614' ' ' ILE . . . -51.89 -35.52 45.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.48 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.98 -29.2 55.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . 0.486 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 39.7 mt-10 -78.32 -32.64 49.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.484 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 610' ' ' SER . 52.5 mt -46.9 -58.37 7.16 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.107 -0.952 . . . . 0.0 113.161 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.537 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 22.6 Cg_endo -61.08 -29.46 87.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.573 2.182 . . . . 0.0 112.695 -176.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 36.9 t -65.98 -40.12 90.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.15 -39.31 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.539 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 614' ' ' ILE . 60.4 mt -56.67 -42.29 76.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.1 mm-40 -56.27 -33.89 65.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.03 -42.28 21.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.934 0.397 . . . . 0.0 110.747 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 618' ' ' ILE . 34.6 pt -75.97 -9.15 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.448 0.642 . . . . 0.0 109.885 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 123.69 26.96 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.499 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -74.16 -72.87 0.97 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.458 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.258 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 121.071 0.462 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.478 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.6 OUTLIER -98.4 153.69 37.91 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.114 174.762 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.96 -40.74 75.1 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.484 2.123 . . . . 0.0 111.538 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.0 pt-20 -59.32 -39.53 83.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.609 178.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -71.15 -33.49 70.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.252 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.747 ' HB ' HG21 ' A' ' 591' ' ' VAL . 83.8 t -74.98 -30.05 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 7.9 ptm180 -79.95 -15.61 56.92 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.215 -0.303 . . . . 0.0 110.843 174.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.95 -50.3 69.38 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 122.565 0.346 . . . . 0.0 111.081 176.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.7 Cg_exo -55.61 -38.97 93.63 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.468 2.112 . . . . 0.0 112.256 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 59.4 mt -65.67 -25.83 67.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.47 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 15.5 mt-30 -77.79 -24.48 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.636 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -101.12 -25.58 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.09 -24.61 0.61 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 119.756 -1.212 . . . . 0.0 113.31 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 52.2 m95 -68.61 159.45 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.688 0.28 . . . . 0.0 110.366 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -133.96 157.05 47.02 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.533 ' CZ ' ' H ' ' A' ' 592' ' ' GLY . 0.0 OUTLIER -147.21 121.75 9.76 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 121.452 0.644 . . . . 0.0 111.184 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -115.46 142.56 46.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.251 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.487 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 91.5 t -117.6 123.28 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.335 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.41 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 22.6 mmt180 -102.39 120.07 39.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.023 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 621' ' ' ILE . 43.0 mt -113.63 122.76 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.454 0.645 . . . . 0.0 110.427 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -128.92 146.06 51.05 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.78 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.521 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -78.43 125.0 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.224 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.23 168.48 28.45 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.539 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -71.54 -22.56 61.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 110.272 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -108.62 -52.56 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -139.78 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.067 -168.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.9 m95 -83.0 125.0 30.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.262 173.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.81 161.23 29.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.602 0.715 . . . . 0.0 111.959 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -155.33 151.35 22.94 Favored Glycine 0 N--CA 1.439 -1.123 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.95 149.91 45.29 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.778 0.799 . . . . 0.0 111.082 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.534 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 76.3 m -106.51 126.67 52.55 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.734 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -108.97 149.25 29.49 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.0 152.01 51.39 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.717 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -134.56 129.16 34.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.351 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.85 131.13 25.64 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.479 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.46 -7.24 20.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.541 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 38.3 t -140.63 5.78 2.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.582 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.47 -146.0 4.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.282 -170.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -175.87 3.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.149 -0.526 . . . . 0.0 111.164 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.12 142.21 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.21 0.529 . . . . 0.0 110.714 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.522 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.5 mpp? -127.04 147.62 50.14 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.966 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 6.38 2.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.575 0.702 . . . . 0.0 110.014 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.0 mm100 -113.75 145.68 41.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.9 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -57.29 -49.22 95.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.327 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 38.0 Cg_endo -64.47 -13.92 41.3 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.387 2.058 . . . . 0.0 112.678 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.522 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 37.1 mt-10 -83.48 -28.14 28.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 111.18 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.558 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 60.0 t -79.02 -44.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.637 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.693 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.92 -33.64 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.208 0.528 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -73.83 -37.42 64.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.722 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -62.47 -41.76 99.01 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.9 mt -66.89 -38.11 85.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.354 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -72.05 -29.85 64.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.309 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -86.93 -36.01 18.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.637 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -108.53 169.98 8.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.98 116.81 33.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.998 0.428 . . . . 0.0 109.998 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.53 127.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -128.3 -22.43 3.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.338 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 23.8 p -73.43 -44.28 58.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 111.077 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.46 136.3 59.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.161 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -113.93 176.92 4.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -53.48 -32.04 48.43 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.804 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.99 -29.7 69.84 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 46.6 m80 -73.73 -10.94 60.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.682 0.753 . . . . 0.0 110.503 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 61.9 m-85 -107.89 125.44 51.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.592 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 31.0 m -136.75 132.88 35.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.534 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.5 m-85 -103.23 0.87 32.21 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.69 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 35.2 m -61.14 119.69 47.91 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 173.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' PRO . . . . . 0.515 ' HB2' HD12 ' A' ' 621' ' ' ILE . 96.7 Cg_endo -74.2 10.17 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.688 2.259 . . . . 0.0 112.125 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 58.1 mtm180 -99.14 1.59 45.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.736 ' HG3' HG23 ' A' ' 591' ' ' VAL . 59.0 tpp -92.98 105.04 13.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 84.1 Cg_endo -82.3 60.76 7.49 Favored 'Trans proline' 0 N--CA 1.466 -0.118 0 C-N-CA 123.315 2.677 . . . . 0.0 113.043 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.747 HG21 ' HB ' ' A' ' 525' ' ' VAL . 80.9 t -101.77 -71.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' GLY . . . . . 0.533 ' H ' ' CZ ' ' A' ' 535' ' ' ARG . . . -92.4 -115.9 2.25 Favored Glycine 0 CA--C 1.504 -0.65 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.051 -174.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.25 139.21 39.0 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.444 0.64 . . . . 0.0 111.258 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 132.53 55.24 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.014 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.06 153.61 48.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.702 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -131.9 125.3 31.35 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.81 123.87 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.239 0.543 . . . . 0.0 109.839 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -134.98 157.32 47.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.417 -173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -100.23 136.87 39.46 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.551 0.691 . . . . 0.0 110.974 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.57 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.1 p -131.0 164.66 40.63 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.149 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.57 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.32 -11.45 19.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.63 2.22 . . . . 0.0 112.769 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.522 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.0 pt-20 -99.87 -17.89 17.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.496 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.74 -170.27 24.04 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.768 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.8 mt -80.74 120.93 25.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.23 0.538 . . . . 0.0 110.11 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.479 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.2 pt20 -135.43 149.31 49.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.67 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.4 m95 -87.52 110.79 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.39 128.6 44.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.459 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.51 135.61 42.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.458 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 32.5 mt -96.18 141.22 29.8 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 10.3 p -78.34 165.93 23.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.29 -35.67 38.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 122.597 0.359 . . . . 0.0 111.141 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.03 -32.61 69.41 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.48 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 42.0 mt-10 -81.07 -28.91 35.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.906 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.5 mt -47.58 -58.87 6.56 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 30.3 Cg_endo -63.33 -27.38 71.55 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.396 2.064 . . . . 0.0 112.614 -175.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.5 m -67.93 -40.65 83.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 110.113 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.406 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.4 mpt_? -72.22 -39.07 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.809 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -56.23 -38.01 52.54 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.873 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 34.4 mm-40 -59.49 -34.85 73.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.07 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.24 27.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.4 pt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.322 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.4 OUTLIER -99.06 146.32 31.5 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.43 -41.98 63.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.71 -39.05 79.66 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.542 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.42 -32.84 66.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.624 ' HB ' HG21 ' A' ' 591' ' ' VAL . 75.7 t -72.79 -31.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 37.8 ptt180 -80.83 -15.95 55.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.718 175.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.44 -49.22 83.56 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 122.621 0.369 . . . . 0.0 111.212 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.525 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.2 Cg_exo -55.52 -38.62 93.88 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.246 1.964 . . . . 0.0 111.993 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 26.4 mt -66.07 -23.1 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.245 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 25.0 mt-30 -87.3 -9.91 53.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -108.74 -25.96 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.42 -22.89 1.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.006 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 45.9 m95 -67.23 161.41 24.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.634 0.254 . . . . 0.0 110.335 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.77 160.3 31.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.624 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.92 119.1 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.477 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -113.47 142.54 45.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.148 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.9 116.15 51.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -104.67 118.27 36.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.913 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 42.1 mt -112.25 123.24 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.45 0.643 . . . . 0.0 110.555 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -129.18 149.43 50.99 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.804 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.49 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -72.88 129.37 38.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -99.49 167.89 21.47 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.772 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.9 m -71.97 -15.76 62.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.1 -57.01 2.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -144.21 -169.68 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.149 0.499 . . . . 0.0 110.892 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.49 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 38.7 m95 -86.5 123.99 32.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.418 172.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -126.6 151.07 48.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.671 0.748 . . . . 0.0 112.098 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.18 21.62 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.896 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -137.93 148.21 45.07 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.279 0.561 . . . . 0.0 110.205 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.2 m -105.9 125.6 51.19 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.819 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -108.47 146.36 33.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.65 0.738 . . . . 0.0 110.297 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.624 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.6 m-85 -129.29 150.02 50.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.206 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -134.4 132.32 39.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -64.63 141.21 43.68 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.323 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -52.3 -29.91 40.36 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.131 2.554 . . . . 0.0 113.554 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 16.0 p -141.14 -22.77 0.76 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.635 0.255 . . . . 0.0 111.365 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -82.88 -147.53 7.0 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.731 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -79.58 -179.48 6.88 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.418 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.28 140.37 49.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.367 0.603 . . . . 0.0 110.828 -178.304 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -126.47 145.2 50.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.461 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 13.62 2.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.685 0.755 . . . . 0.0 109.992 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.1 mm100 -123.7 145.28 49.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.584 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.3 t80 -56.8 -50.49 87.71 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.553 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 39.0 Cg_endo -64.89 -15.07 48.54 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.246 1.964 . . . . 0.0 112.794 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 24.2 mm-40 -85.65 -26.6 25.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.205 0.526 . . . . 0.0 111.07 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.2 t -78.56 -42.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.2 mm -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 121.111 0.482 . . . . 0.0 111.398 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.6 ptpt -74.01 -37.18 64.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.206 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.15 -45.12 94.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.112 0.482 . . . . 0.0 109.863 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.1 mt -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.632 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 15.8 t -73.43 -34.53 65.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.911 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.9 mtp180 -83.82 -39.13 20.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.533 -176.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -105.61 168.56 9.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.79 115.87 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.011 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.5 t -146.48 104.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.813 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -113.86 -19.18 11.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.649 0.261 . . . . 0.0 111.456 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 20.1 m -69.25 -41.77 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.164 0.507 . . . . 0.0 110.211 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 528' ' ' PRO . 12.2 m -121.82 134.86 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.562 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -113.52 175.58 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.34 -31.87 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.166 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.06 -29.17 70.11 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.8 m80 -74.1 -11.78 60.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.516 0.674 . . . . 0.0 110.765 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.574 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 63.6 m-85 -106.17 127.19 53.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.242 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -134.97 132.93 38.97 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.2 m-85 -105.1 -4.7 21.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 111.621 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 50.3 m -61.86 117.34 27.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -75.1 11.27 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.645 2.23 . . . . 0.0 112.478 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -95.51 -0.38 52.24 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.746 ' HG3' HG23 ' A' ' 591' ' ' VAL . 60.4 tpp -97.49 104.2 19.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.322 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.3 Cg_endo -82.16 71.41 6.64 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.907 2.404 . . . . 0.0 112.558 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.746 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.4 t -106.98 -72.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.75 -101.65 0.63 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 119.747 -1.216 . . . . 0.0 112.886 -170.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.91 139.05 53.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.093 0.473 . . . . 0.0 110.156 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.7 m-85 -121.53 132.18 54.55 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.236 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -130.78 153.77 48.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.469 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 15.3 tt0 -131.47 127.2 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.97 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.53 124.36 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -133.62 157.92 44.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.358 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -99.51 136.85 38.84 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.478 0.656 . . . . 0.0 111.021 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.4 p -131.27 164.57 41.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.29 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.6 Cg_endo -61.82 -11.12 19.53 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.776 2.317 . . . . 0.0 112.768 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.53 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -102.33 -16.77 16.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.964 0.411 . . . . 0.0 110.287 175.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.52 -166.16 25.62 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.685 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.9 mt -84.64 119.32 25.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.31 0.576 . . . . 0.0 110.396 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.507 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.3 pt20 -133.69 146.92 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.77 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -89.21 110.35 21.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 31.5 t -92.7 127.58 44.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.107 0.48 . . . . 0.0 110.288 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.83 134.58 43.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.848 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 28.9 mt -95.99 142.02 28.71 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -77.91 165.89 23.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.28 -34.98 48.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.035 0.209 . . . . 0.0 111.482 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.49 -28.72 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.53 -28.97 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 611' ' ' ALA . 48.3 mt -47.95 -58.6 7.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.927 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.484 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.83 -28.97 82.12 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.433 2.089 . . . . 0.0 112.606 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -39.68 89.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.308 0.575 . . . . 0.0 109.762 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.93 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.909 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.5 mt -56.45 -38.1 54.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.555 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 92.9 mm-40 -61.72 -33.97 74.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.89 53.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.371 -177.083 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 120.75 0.309 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.31 146.84 33.36 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.049 175.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.33 -42.66 66.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.841 2.36 . . . . 0.0 112.316 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.14 -41.8 72.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.5 mm-40 -71.7 -34.49 69.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.503 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.61 ' HB ' HG21 ' A' ' 591' ' ' VAL . 86.2 t -70.85 -31.33 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.4 ptp180 -81.55 -15.45 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.271 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -50.64 -49.8 76.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 122.366 0.267 . . . . 0.0 111.287 178.471 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.538 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.8 Cg_exo -56.84 -37.13 98.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.405 2.07 . . . . 0.0 112.427 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -64.1 -27.88 69.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.115 0.483 . . . . 0.0 110.545 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 10.4 mt-30 -77.76 -24.36 49.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.585 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -99.64 -23.98 14.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.61 -22.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 119.733 -1.222 . . . . 0.0 112.831 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 63.8 m95 -66.67 158.87 28.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -129.52 160.88 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.676 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.8 ttt180 -144.96 118.43 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.991 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -118.09 141.02 48.92 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.255 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.1 t -117.28 123.37 71.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.247 0.546 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.425 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 71.3 mtt180 -103.09 121.59 42.93 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.125 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.55 122.92 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 121.533 0.683 . . . . 0.0 110.247 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.57 144.76 51.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.812 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.4 tptm -75.01 127.51 33.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.057 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.38 168.48 17.64 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.914 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -29.71 68.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.091 0.472 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -98.69 -46.49 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -153.42 -174.57 4.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.358 0.599 . . . . 0.0 111.274 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.444 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.1 m95 -86.46 124.81 33.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.083 172.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -127.64 158.76 36.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.689 0.757 . . . . 0.0 111.894 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.28 151.4 23.65 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.939 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -136.93 146.56 45.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.504 0.669 . . . . 0.0 110.486 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.6 m -109.15 125.71 52.47 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.185 -177.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -108.71 148.15 30.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.737 0.779 . . . . 0.0 110.579 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.676 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 17.4 m-85 -131.42 153.81 49.31 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.177 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.47 129.46 33.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.488 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.33 134.41 31.03 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.838 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.65 -7.29 20.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.895 2.396 . . . . 0.0 112.673 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.48 3.52 2.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.369 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.18 -141.93 3.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.773 -1.204 . . . . 0.0 113.021 -167.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -176.45 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.506 . . . . 0.0 111.039 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.461 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -120.26 142.51 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.161 0.505 . . . . 0.0 110.516 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.789 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 12.87 3.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.834 0.826 . . . . 0.0 109.553 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -127.98 145.78 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.689 -1.142 . . . . 0.0 109.76 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.767 ' CE1' HD11 ' A' ' 567' ' ' ILE . 30.3 t80 -55.7 -49.94 89.88 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.993 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.627 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 32.8 Cg_endo -64.0 -15.99 52.33 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.176 1.918 . . . . 0.0 112.289 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -86.05 -26.95 25.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.215 0.531 . . . . 0.0 111.003 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.589 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 50.5 t -77.41 -46.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.0 mm -57.25 -33.0 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.022 0.439 . . . . 0.0 111.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.5 ptpt -74.4 -37.12 63.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.774 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -64.47 -40.82 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.5 mt -66.8 -35.21 79.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.325 0.583 . . . . 0.0 110.08 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 44.9 m -73.5 -44.07 58.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.415 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -81.02 -41.12 23.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.814 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -97.22 177.36 5.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.94 118.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.863 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.9 129.17 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.582 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -125.33 -26.06 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 38.4 m -78.25 -39.11 41.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.127 0.489 . . . . 0.0 111.699 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.77 139.75 47.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.932 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -112.93 175.2 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.5 -32.4 39.94 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.571 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.12 -28.53 67.94 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.4 m80 -75.77 -11.53 60.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.646 . . . . 0.0 110.866 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.569 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 57.7 m-85 -106.35 125.97 51.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.373 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 38.2 t -135.43 133.23 38.41 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.41 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.9 m-85 -104.54 -2.85 24.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.877 0.37 . . . . 0.0 111.477 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.4 m -61.15 116.82 21.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.047 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.96 9.93 2.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.973 2.449 . . . . 0.0 112.182 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 81.7 mtp180 -97.41 0.87 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.71 ' HG3' HG23 ' A' ' 591' ' ' VAL . 52.7 tpp -97.15 101.77 10.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.253 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 614' ' ' ILE . 72.1 Cg_endo -80.51 74.51 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.597 2.198 . . . . 0.0 112.144 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.71 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.3 t -109.74 -72.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.84 -98.16 0.67 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 119.551 -1.309 . . . . 0.0 112.721 -171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -125.82 140.12 52.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.473 0.654 . . . . 0.0 111.137 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 614' ' ' ILE . 13.9 m-85 -121.83 131.97 54.34 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.212 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -129.36 152.89 48.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -130.13 125.25 34.62 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.81 120.81 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -133.74 158.09 44.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.122 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -100.73 133.35 45.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.529 0.681 . . . . 0.0 110.821 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.3 p -128.13 164.73 35.4 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.146 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 28.0 Cg_endo -62.69 -12.6 29.38 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.585 2.19 . . . . 0.0 112.93 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.575 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.52 -17.43 19.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 173.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.44 -163.31 25.45 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 119.898 -1.144 . . . . 0.0 113.869 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 62.4 mt -87.5 117.49 26.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.333 0.587 . . . . 0.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.9 pt20 -135.3 153.34 51.91 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.365 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 59.6 m95 -87.43 110.64 20.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.5 127.33 44.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.279 0.561 . . . . 0.0 110.437 -176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.12 135.12 44.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.944 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 41.7 mt -95.56 143.62 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.408 ' O ' HG13 ' A' ' 614' ' ' ILE . 13.6 m -78.12 164.32 25.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.31 -34.76 48.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.82 -23.81 44.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.98 -31.55 39.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 110.355 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 611' ' ' ALA . 50.8 mt -47.73 -58.66 7.14 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.027 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.66 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.5 Cg_endo -60.89 -30.12 89.43 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.588 2.192 . . . . 0.0 112.73 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 40.3 t -65.17 -40.88 94.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.22 0.533 . . . . 0.0 109.851 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -71.63 -38.21 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.454 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 614' ' ' ILE . 59.2 mt -56.57 -38.0 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.94 176.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -62.13 -34.9 77.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.622 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.81 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.089 0.471 . . . . 0.0 110.842 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.02 -177.514 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.73 0 CA-C-O 121.29 0.567 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -98.42 149.23 35.53 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.254 174.354 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.56 -40.59 78.47 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.5 -39.6 84.36 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.718 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 24.1 mm-40 -72.72 -31.18 64.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 111.228 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.743 ' HB ' HG21 ' A' ' 591' ' ' VAL . 65.7 t -73.53 -31.15 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.296 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.8 ptp180 -81.54 -15.0 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.17 -0.332 . . . . 0.0 111.344 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.07 -52.93 43.42 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.699 0.4 . . . . 0.0 111.6 177.388 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.3 Cg_endo -61.49 -30.37 86.46 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.299 1.999 . . . . 0.0 112.559 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 62.9 mt -65.74 -27.15 68.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.47 . . . . 0.0 110.04 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 10.6 mt-30 -77.61 -23.6 49.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.452 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -96.83 -25.35 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.49 -25.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 119.765 -1.207 . . . . 0.0 113.138 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 57.5 m95 -64.33 158.22 24.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.667 0.233 . . . . 0.0 110.541 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -130.74 159.39 37.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.652 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.2 ttt180 -148.67 119.56 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.377 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -116.15 143.25 45.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.984 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 54.2 t -117.09 119.91 63.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.139 0.495 . . . . 0.0 109.8 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -103.25 118.47 36.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.997 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.35 123.13 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.445 0.64 . . . . 0.0 110.492 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.06 149.44 50.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.062 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.7 tptm -77.25 129.24 35.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 173.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -105.28 169.24 16.22 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.802 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -69.74 -24.21 63.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.918 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -95.18 -57.86 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.521 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -154.01 -169.28 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 111.173 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.0 m95 -84.62 125.14 32.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.502 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -127.42 160.81 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.503 0.668 . . . . 0.0 111.832 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.79 151.16 23.37 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.531 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.23 147.94 44.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.328 0.585 . . . . 0.0 110.429 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 57.2 m -107.63 125.94 51.96 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 -177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -109.72 148.12 31.97 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.53 0.681 . . . . 0.0 110.336 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.652 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.4 m-85 -129.7 150.78 50.87 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.396 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -134.48 131.63 38.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.26 46.79 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.67 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.06 -29.37 54.87 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.073 2.515 . . . . 0.0 112.316 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 5.5 p -143.86 -24.27 0.56 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -79.73 -152.21 7.23 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.912 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.478 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.74 -177.72 2.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.323 -0.438 . . . . 0.0 111.142 -176.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.91 139.08 51.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.177 0.513 . . . . 0.0 110.546 178.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.478 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.7 mpp? -126.44 147.17 49.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.572 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 8.76 3.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.68 0.752 . . . . 0.0 109.629 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.0 mm100 -119.2 144.74 46.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.493 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.5 t80 -59.16 -49.88 90.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.56 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.4 Cg_endo -63.4 -13.95 39.23 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.245 1.963 . . . . 0.0 112.474 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.519 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 14.6 mm-40 -89.42 -25.38 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.27 0.557 . . . . 0.0 110.846 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 43.6 t -77.74 -44.94 28.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.496 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -56.87 -32.23 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.547 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.0 OUTLIER -73.75 -38.3 64.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.039 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.96 -42.86 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.6 mt -68.5 -39.32 81.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.407 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.9 m -72.88 -38.0 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.893 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 76.8 mtp180 -75.9 -24.73 55.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.954 0.407 . . . . 0.0 111.079 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -117.37 -168.72 1.53 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.096 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 56.5 t -119.28 117.2 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 32.9 t -138.86 119.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -111.07 -33.68 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 49.7 m -68.36 -41.13 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.958 0.409 . . . . 0.0 111.096 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.447 HG11 ' CA ' ' A' ' 528' ' ' PRO . 11.6 m -121.61 136.01 59.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.371 0.605 . . . . 0.0 112.143 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.02 175.66 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.36 -31.89 55.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.237 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.53 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 41.6 m80 -74.2 -11.21 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.508 0.67 . . . . 0.0 110.688 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.419 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 40.4 m-85 -108.76 124.27 50.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.252 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.8 m -135.71 132.51 36.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.2 m-85 -101.75 -4.02 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.4 116.78 21.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.13 10.75 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.001 2.467 . . . . 0.0 112.745 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 70.6 mtt180 -96.06 -1.48 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.798 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.2 tpp -95.18 104.83 16.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.169 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 83.9 Cg_endo -82.18 67.47 8.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 123.123 2.549 . . . . 0.0 112.758 -176.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.798 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.5 t -104.81 -70.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.94 -99.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.474 -1.346 . . . . 0.0 112.483 -173.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -123.71 141.82 51.65 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.301 0.572 . . . . 0.0 110.867 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -121.99 132.27 54.44 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.122 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -130.39 155.17 46.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.975 0.417 . . . . 0.0 110.512 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -132.14 127.31 35.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.999 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -74.29 122.39 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -134.99 157.16 47.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.33 139.37 36.09 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.328 0.585 . . . . 0.0 110.777 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 24.2 p -133.35 164.84 41.13 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.442 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.557 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 18.8 Cg_endo -59.77 -13.9 24.38 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.918 2.412 . . . . 0.0 112.76 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.618 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.78 -19.14 18.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.842 0.353 . . . . 0.0 110.45 174.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.97 -165.46 25.38 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 119.878 -1.153 . . . . 0.0 113.719 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.83 118.32 23.33 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.575 0.702 . . . . 0.0 110.32 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.5 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.0 pt20 -134.25 148.46 50.83 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.682 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -88.5 110.17 20.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.99 126.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.0 110.604 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -73.31 134.53 44.2 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.829 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.7 mt -94.59 142.28 27.63 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.2 m -82.73 164.88 20.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.14 -32.73 36.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.63 -34.28 73.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.744 0.307 . . . . 0.0 111.296 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.0 -26.99 33.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.691 0.281 . . . . 0.0 111.164 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 611' ' ' ALA . 28.2 mt -46.88 -58.59 6.68 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.0 Cg_endo -60.56 -33.74 93.34 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.545 2.163 . . . . 0.0 112.562 -175.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.3 m -63.51 -40.33 96.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.09 -39.5 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 614' ' ' ILE . 54.5 mt -56.66 -40.9 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.82 -32.91 71.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.6 25.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.156 0.503 . . . . 0.0 110.781 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 36.5 pt . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.628 0.727 . . . . 0.0 110.124 176.832 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.634 0.254 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.12 141.61 22.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.23 173.595 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -51.96 -43.38 52.59 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.31 -42.36 73.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.421 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -72.95 -31.51 64.63 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.449 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.515 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 96.9 t -69.47 -30.08 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.341 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.35 -14.68 52.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.642 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.54 -49.35 86.35 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.5 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 35.1 Cg_exo -58.41 -35.89 98.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.179 1.92 . . . . 0.0 112.187 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.4 mt -65.57 -21.53 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.686 -177.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 9.5 mt-30 -84.13 -20.44 32.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -102.51 -21.83 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 148.17 -25.49 1.41 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.915 -1.136 . . . . 0.0 112.703 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 65.6 m95 -61.97 157.21 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 534' ' ' ARG . 66.4 mtt180 -129.62 160.97 31.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.707 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 6.7 ttt180 -143.84 118.29 9.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.062 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -116.19 137.42 52.15 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.54 121.09 66.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.105 0.478 . . . . 0.0 109.81 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.529 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.67 118.35 36.35 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.231 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.0 mt -111.31 123.39 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.349 0.595 . . . . 0.0 110.153 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -130.03 144.41 51.32 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.967 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -81.65 126.83 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.409 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.59 168.03 19.28 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.115 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.8 t -72.16 -16.47 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.2 -49.36 3.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -151.91 177.4 10.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.504 0.669 . . . . 0.0 111.829 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 46.8 m95 -85.15 124.84 32.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.397 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.38 164.27 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.561 0.696 . . . . 0.0 111.327 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.27 22.98 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.604 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.44 148.29 44.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.767 0.794 . . . . 0.0 110.772 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 80.0 m -106.87 125.91 51.62 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.167 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 9.5 m95 -110.44 148.09 32.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.388 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.707 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -133.6 154.09 51.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.233 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.68 133.47 38.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -62.52 141.46 46.97 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.259 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.2 -29.15 55.31 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.13 2.553 . . . . 0.0 112.593 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.41 -24.89 0.59 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.843 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -80.05 -147.24 4.54 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.817 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.57 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -81.96 -177.47 6.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.207 0.527 . . . . 0.0 112.05 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.481 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 39.2 ttp180 -109.71 133.39 53.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.709 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.57 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.4 mpp? -126.9 144.92 50.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.227 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -138.32 11.98 2.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.815 0.817 . . . . 0.0 109.791 177.192 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.464 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.2 mm100 -118.46 145.52 45.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.219 175.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.2 t80 -57.75 -50.23 89.32 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.458 178.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.577 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 43.0 Cg_endo -65.6 -11.89 32.58 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.452 2.101 . . . . 0.0 112.597 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 59.0 mm-40 -88.05 -27.12 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.257 0.551 . . . . 0.0 111.133 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.3 t -77.93 -43.05 28.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.739 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -58.88 -32.43 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.19 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.577 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.84 -37.23 62.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.157 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.43 -43.51 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -63.11 -43.11 99.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 53.0 m -73.46 -39.17 65.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.25 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.88 -16.36 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.706 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -123.33 -173.22 2.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.93 118.19 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 110.45 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.7 t -137.98 138.18 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -129.4 -25.87 2.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 13.4 p -91.73 -40.99 10.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.174 0.511 . . . . 0.0 112.241 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.1 138.18 47.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -112.2 172.6 6.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.437 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.94 -31.93 60.85 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.189 0.45 . . . . 0.0 112.192 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.82 -23.12 67.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -77.28 -12.65 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.537 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.3 m-85 -107.47 124.42 49.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.057 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 47.1 t -130.95 132.62 45.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.0 m-85 -103.6 -3.23 25.47 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.363 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.45 113.99 9.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.657 171.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.65 10.6 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.652 2.235 . . . . 0.0 111.414 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.442 ' HG2' HG23 ' A' ' 618' ' ' ILE . 48.3 mtt180 -100.82 2.55 41.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.425 ' HG2' HG21 ' A' ' 525' ' ' VAL . 49.6 tpp -94.97 107.86 34.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.781 173.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.01 58.08 6.01 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.003 2.469 . . . . 0.0 112.76 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 42.9 t -137.13 140.92 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 101.8 -135.23 12.1 Favored Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -120.43 132.31 55.18 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.867 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -128.43 154.91 45.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.704 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.27 123.91 31.18 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.56 120.31 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -134.08 157.46 46.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.509 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.76 133.14 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.88 0.848 . . . . 0.0 111.095 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.1 p -126.34 164.84 31.5 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 22.4 Cg_endo -61.89 -12.83 27.56 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 122.395 2.063 . . . . 0.0 112.628 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.3 pt-20 -98.75 -15.25 19.39 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.57 175.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.13 -163.9 24.82 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.682 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.99 122.72 29.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.368 0.604 . . . . 0.0 110.497 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.511 ' CD ' HG21 ' A' ' 600' ' ' THR . 11.1 pt20 -138.03 151.44 47.88 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.638 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' TRP . . . . . 0.529 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.8 m95 -88.5 110.16 20.63 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.3 t -92.79 125.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.05 0.452 . . . . 0.0 110.073 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -74.38 135.46 42.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.063 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.1 144.25 27.14 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 614' ' ' ILE . 47.0 m -81.69 167.68 18.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.47 -31.46 62.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.094 0.247 . . . . 0.0 111.552 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -78.07 -25.35 47.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -82.18 -29.61 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.304 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 611' ' ' ALA . 38.9 mt -47.4 -58.78 6.64 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.074 -0.967 . . . . 0.0 112.978 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.4 Cg_endo -61.38 -31.74 88.77 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.552 2.168 . . . . 0.0 112.773 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.4 m -64.99 -40.69 95.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.5 -38.98 71.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.443 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.8 mt -56.75 -43.52 79.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.933 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.5 mm-40 -55.07 -33.97 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.79 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.976 0.417 . . . . 0.0 110.805 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.457 0.646 . . . . 0.0 110.64 -179.695 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.621 0.248 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.82 144.69 29.02 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.49 174.078 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.05 -42.92 62.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.751 2.301 . . . . 0.0 112.308 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.14 -41.7 72.1 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.1 mm-40 -72.98 -32.14 64.98 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.415 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.3 t -71.25 -31.54 44.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 ptm180 -80.77 -15.38 56.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.146 174.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.1 -49.61 74.41 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 122.426 0.29 . . . . 0.0 111.454 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 45.6 Cg_exo -57.35 -36.9 98.9 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.335 2.023 . . . . 0.0 112.26 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.34 -23.98 64.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 17.1 mt-30 -76.71 -25.16 53.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.721 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -94.66 -99.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.918 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.47 -20.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.492 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -70.73 160.38 32.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.437 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -129.83 159.73 35.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.693 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 4.6 ttt180 -145.46 119.79 9.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.268 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.04 116.16 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -107.19 118.82 37.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.349 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 617' ' ' ARG . 24.3 mt -110.61 124.24 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.0 110.447 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -129.33 142.82 50.72 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.562 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -70.32 126.16 28.86 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.99 165.31 25.4 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.1 m -71.11 -20.08 62.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.903 0.383 . . . . 0.0 110.524 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.88 -47.15 3.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -152.55 -173.36 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -83.84 125.06 31.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.549 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -128.54 155.77 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 0.0 112.008 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -145.45 151.87 24.01 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.107 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -140.73 148.88 41.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.845 0.831 . . . . 0.0 111.192 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.473 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.4 m -106.03 125.66 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.17 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -109.18 147.19 32.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.565 0.698 . . . . 0.0 110.566 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.693 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.7 m-85 -130.64 152.98 49.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.203 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -134.28 130.79 37.6 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.92 134.39 25.47 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.648 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.99 -11.08 27.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.937 2.425 . . . . 0.0 112.811 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 9.2 p -137.28 6.79 2.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.181 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.19 -141.25 3.15 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.115 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -81.03 -177.21 6.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.846 -0.677 . . . . 0.0 111.165 -175.629 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.31 135.8 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.401 0.62 . . . . 0.0 110.344 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -124.94 145.87 49.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.465 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -138.36 10.79 2.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.657 0.742 . . . . 0.0 110.119 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -118.13 144.67 45.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.009 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.7 t80 -57.29 -49.96 90.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.596 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.596 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 34.5 Cg_endo -63.78 -14.93 45.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.341 2.027 . . . . 0.0 112.512 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.08 -27.32 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.233 0.54 . . . . 0.0 111.019 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.5 t -78.21 -45.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.74 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.5 mm -57.42 -33.19 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 121.048 0.451 . . . . 0.0 111.766 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.596 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.1 ptpt -74.5 -38.24 62.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.653 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.92 -40.8 95.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.977 0.417 . . . . 0.0 109.876 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.4 mt -68.0 -40.81 82.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 56.1 m -72.14 -40.63 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.888 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 79.0 mtp180 -72.77 -25.65 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.942 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -117.57 -162.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.18 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.1 t -124.18 117.75 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.0 110.338 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.26 111.0 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.82 -31.32 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.233 -172.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -70.24 -44.29 68.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.037 0.446 . . . . 0.0 111.258 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.15 135.82 61.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.121 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.2 175.52 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.34 -31.94 55.6 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.483 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.53 -30.31 69.67 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 40.9 m80 -73.75 -11.61 60.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.294 0.568 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.539 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.9 m-85 -106.75 126.33 52.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.363 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.8 t -135.47 134.65 39.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.2 -5.12 19.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.7 m -63.95 120.22 61.96 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.764 0.316 . . . . 0.0 111.134 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.96 11.83 1.9 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.222 2.614 . . . . 0.0 112.187 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.26 2.72 34.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.8 tpp -97.34 102.82 13.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.669 172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 72.6 Cg_endo -79.44 72.49 6.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.875 2.383 . . . . 0.0 112.596 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.787 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.6 t -107.6 -72.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.65 -105.94 0.91 Allowed Glycine 0 CA--C 1.502 -0.721 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.868 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -113.61 137.81 51.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-O 121.203 0.525 . . . . 0.0 110.235 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -119.7 131.87 55.52 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -127.78 153.09 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 609' ' ' LEU . 6.6 tp10 -131.04 120.21 23.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.99 124.41 26.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -133.98 157.83 45.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -173.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.15 143.42 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 0.0 110.779 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.595 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.4 p -135.38 165.05 39.29 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.361 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.1 Cg_endo -61.7 -11.4 20.4 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.715 2.277 . . . . 0.0 112.847 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.58 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.9 pt-20 -102.11 -16.05 16.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.258 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 140.39 -170.76 24.27 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.386 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.2 mt -81.85 124.81 30.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.493 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.9 pt20 -139.38 150.5 45.38 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.377 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -88.23 111.29 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.31 124.21 44.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.201 0.524 . . . . 0.0 110.684 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -74.25 134.81 42.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 596' ' ' GLU . 20.1 mt -97.76 145.17 26.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.967 -175.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 166.88 15.86 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.59 -33.29 54.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.63 -29.12 62.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.92 -29.27 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.3 mt -46.52 -58.39 6.81 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.0 Cg_endo -61.3 -33.6 89.22 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.425 2.084 . . . . 0.0 112.555 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.07 -32.42 72.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.239 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 539' ' ' ILE . 3.5 mpt_? -72.95 -45.28 58.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.965 173.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 614' ' ' ILE . 53.9 mt -57.33 -39.44 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.161 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -56.97 -34.64 68.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.72 51.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.706 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 28.4 pt . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.959 0.885 . . . . 0.0 110.181 179.242 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 120.655 0.264 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -102.19 142.93 25.58 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.206 175.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.76 -43.97 51.65 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.111 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.38 -41.74 76.72 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.923 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.6 mm-40 -72.84 -32.5 65.52 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.424 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.568 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 97.7 t -67.76 -30.81 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.458 ' HB3' ' CG1' ' A' ' 591' ' ' VAL . 9.1 ptm180 -81.97 -15.68 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.711 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -52.91 -50.77 79.76 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.535 179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.7 Cg_exo -59.1 -35.49 97.94 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.245 1.964 . . . . 0.0 112.096 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.8 mt -64.01 -24.2 67.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.616 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -84.56 -21.28 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -96.59 -23.38 16.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' GLY . . . . . 0.418 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 147.73 -25.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.622 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.624 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 67.6 m95 -62.0 152.63 31.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.242 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -131.52 158.18 41.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 537' ' ' VAL . 0.0 OUTLIER -143.52 120.22 11.16 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.468 178.128 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -114.73 137.81 51.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.554 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 78.0 t -116.44 120.85 66.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.774 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.49 119.39 38.79 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.837 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.71 122.99 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 121.3 0.572 . . . . 0.0 110.405 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -127.21 144.7 50.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -76.71 126.64 31.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.128 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.431 ' O ' ' HE2' ' A' ' 541' ' ' LYS . . . -97.66 165.59 22.36 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.236 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.2 t -71.62 -16.31 62.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.079 0.466 . . . . 0.0 110.3 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -109.48 -46.03 3.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -152.74 -177.99 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.52 0.676 . . . . 0.0 111.851 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.443 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 54.1 m95 -89.25 124.56 34.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.844 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -130.67 164.2 25.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.73 0.776 . . . . 0.0 111.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.71 152.03 23.85 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.588 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.94 148.95 45.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.522 0.677 . . . . 0.0 110.669 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.475 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 97.2 m -107.74 125.88 51.94 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' TRP . . . . . 0.491 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 8.8 m0 -109.98 149.3 30.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.637 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.42 ' CE1' ' HD1' ' A' ' 583' ' ' PHE . 15.9 m-85 -132.79 155.92 48.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.902 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -134.9 133.2 39.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.542 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.92 130.31 19.57 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 173.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' PRO . . . . . 0.418 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 52.9 Cg_endo -69.11 -15.48 39.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.629 2.219 . . . . 0.0 112.122 -175.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 57.9 m -129.34 5.6 5.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.81 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -144.51 3.94 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.495 -169.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.418 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.4 OUTLIER -80.08 -176.53 5.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.953 -0.624 . . . . 0.0 112.464 -173.309 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.491 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 36.1 ttp180 -106.09 133.09 51.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.451 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -124.37 143.58 50.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 11.88 2.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.889 0.852 . . . . 0.0 109.525 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.461 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.7 mm100 -118.84 145.57 45.56 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.069 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.757 ' CE1' HD11 ' A' ' 567' ' ' ILE . 14.6 t80 -57.27 -49.08 95.97 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.403 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 31.8 Cg_endo -63.08 -15.62 49.12 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.555 2.17 . . . . 0.0 112.882 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 56.7 mt-10 -83.4 -28.85 28.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.351 0.596 . . . . 0.0 110.856 177.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.624 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 63.1 t -78.84 -44.46 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.581 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.757 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -59.15 -32.86 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.149 0.5 . . . . 0.0 111.304 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.5 ptpt -74.59 -37.06 63.0 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.862 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -66.7 -40.6 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 33.9 mt -67.45 -37.69 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.2 t -74.19 -44.39 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.933 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -75.45 -34.24 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.817 -175.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.81 176.95 4.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.32 117.22 41.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 34.2 t -137.82 104.64 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -104.39 -13.33 16.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.712 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 10.5 p -94.02 -44.78 7.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.273 0.559 . . . . 0.0 111.723 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.54 141.22 39.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.849 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -113.28 173.59 6.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.458 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.9 -32.15 52.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.358 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.12 -23.91 66.83 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -77.79 -12.68 60.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.208 0.528 . . . . 0.0 110.805 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 54.7 m-85 -108.41 124.84 51.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.43 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.3 p -135.28 133.03 38.48 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.475 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 63.4 m-85 -101.22 -0.66 35.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.112 0.482 . . . . 0.0 111.133 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.6 m -61.52 113.8 9.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.94 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.78 10.25 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.584 2.189 . . . . 0.0 112.32 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -93.17 -1.42 56.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 109.747 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 50.9 tpp -91.95 109.52 37.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.629 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.93 52.49 4.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.184 2.59 . . . . 0.0 112.323 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 526' ' ' ARG . 25.7 t -140.03 119.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 110.53 -154.15 16.74 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -166.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.52 138.39 50.2 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.299 0.571 . . . . 0.0 111.171 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 609' ' ' LEU . 13.3 m-85 -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.254 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.39 152.42 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.458 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 609' ' ' LEU . 38.5 tt0 -135.38 126.87 28.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.529 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 606' ' ' TRP . 36.1 tt0 -75.1 121.0 21.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.351 0.595 . . . . 0.0 109.59 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -130.74 159.3 37.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.327 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -94.41 134.84 36.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.54 0.686 . . . . 0.0 111.177 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.6 p -128.82 164.21 40.12 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.1 Cg_endo -60.14 -15.33 33.52 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.664 2.242 . . . . 0.0 112.613 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.442 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 8.6 pt-20 -99.14 -11.16 21.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.864 0.364 . . . . 0.0 110.794 176.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 131.91 -161.96 23.82 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.867 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.24 122.41 30.19 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.562 0.696 . . . . 0.0 110.728 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.414 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.5 pt20 -138.94 153.45 48.22 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 597' ' ' GLU . 53.5 m95 -91.01 110.47 21.73 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 24.3 t -93.56 130.16 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.002 0.43 . . . . 0.0 110.091 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -73.34 135.55 44.34 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.719 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.8 mt -96.2 143.31 27.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 614' ' ' ILE . 37.8 m -84.67 165.5 17.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.83 -31.73 50.36 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.58 -36.12 78.29 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.486 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.17 -29.47 38.75 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.7 mt -46.48 -58.78 6.03 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.33 -177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.622 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 24.9 Cg_endo -62.29 -31.54 81.91 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.371 2.047 . . . . 0.0 112.814 -175.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 t -66.87 -37.58 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.135 0.493 . . . . 0.0 109.714 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.428 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.3 mpt_? -71.94 -39.87 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.334 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 614' ' ' ILE . 64.7 mt -57.17 -38.99 64.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.907 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.96 -33.84 75.03 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.15 34.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 617' ' ' ARG . 40.0 pt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.541 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -102.38 144.58 28.9 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.972 173.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.3 -42.77 62.76 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.791 2.327 . . . . 0.0 112.225 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -58.52 -39.98 81.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.704 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -72.12 -30.68 65.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.73 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -74.84 -31.3 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.911 0.386 . . . . 0.0 111.198 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.8 ptm85 -80.74 -15.11 57.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.937 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.416 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.8 -49.88 77.04 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 122.58 0.352 . . . . 0.0 111.324 177.538 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 51.2 Cg_exo -57.08 -37.19 98.92 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.419 2.08 . . . . 0.0 112.188 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 57.5 mt -64.97 -27.17 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 12.9 mt-30 -77.49 -22.05 51.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.653 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -101.13 -24.15 14.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.83 -27.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.979 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.0 m95 -63.2 157.88 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.731 0.301 . . . . 0.0 110.286 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -131.88 159.43 38.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.643 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.65 119.29 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.675 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -115.18 141.5 47.94 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.353 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.13 119.62 62.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.153 0.501 . . . . 0.0 109.787 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 538' ' ' ARG . 19.5 mtp180 -104.46 118.36 36.41 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.271 -176.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 44.7 mt -113.97 122.78 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.445 0.641 . . . . 0.0 110.647 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -127.74 147.73 50.41 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.7 tptm -82.06 126.51 32.08 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.96 168.83 22.55 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.821 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.5 m -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -108.15 -59.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.96 -179.87 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.454 0.645 . . . . 0.0 112.085 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.513 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.3 m95 -87.23 124.18 33.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.525 174.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.24 163.55 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.363 0.601 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.75 151.67 23.55 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -139.04 148.17 43.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.308 0.575 . . . . 0.0 110.619 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.477 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 58.5 m -108.35 126.05 52.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.072 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -109.91 148.91 30.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.556 0.693 . . . . 0.0 110.617 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.643 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.4 m-85 -131.26 153.07 49.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.454 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -136.17 130.71 33.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.22 135.36 27.55 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.237 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.33 -13.04 27.95 Favored 'Trans proline' 0 CA--C 1.527 0.132 0 C-N-CA 122.895 2.397 . . . . 0.0 112.529 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 36.7 m -135.83 6.15 3.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.952 -175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.73 -147.11 4.74 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 119.606 -1.283 . . . . 0.0 113.241 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -178.0 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.155 -0.522 . . . . 0.0 111.663 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.493 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -118.9 142.68 47.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.565 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -130.1 150.84 51.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.976 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 10.96 2.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.619 0.723 . . . . 0.0 109.811 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.487 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.4 mm100 -117.29 145.22 44.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.198 174.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 567' ' ' ILE . 16.1 t80 -59.96 -49.15 92.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.629 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 36.0 Cg_endo -63.81 -12.61 32.54 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.421 2.081 . . . . 0.0 112.359 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 58.7 mm-40 -89.8 -25.59 21.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 0.0 110.921 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 46.3 t -78.08 -45.17 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.32 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.677 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.64 -32.68 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.189 0.519 . . . . 0.0 111.358 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.53 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.2 ptpm? -73.85 -36.61 64.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.17 -41.69 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.9 mt -67.74 -30.95 70.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.6 t -73.44 -43.64 59.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.931 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 572' ' ' ARG . 19.2 mtp180 -71.38 -35.87 71.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.774 -176.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -110.32 165.46 11.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.234 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.13 116.86 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 141.9 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -137.14 -34.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 111.203 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 32.7 m -68.79 -37.29 79.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.133 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.6 m -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.401 0.619 . . . . 0.0 111.874 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -113.05 175.11 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.78 -32.23 51.74 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.57 -28.42 65.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 45.3 m80 -75.61 -11.93 60.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.252 0.548 . . . . 0.0 111.052 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.53 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 52.0 m-85 -109.2 125.61 52.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.534 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 76.4 p -136.27 140.62 43.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.477 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 64.4 m-85 -108.5 -1.69 19.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.83 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 25.8 m -61.62 118.68 40.21 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.39 11.37 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.64 2.227 . . . . 0.0 112.708 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.449 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 76.0 mtp180 -90.58 -4.92 56.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.758 ' HG3' HG23 ' A' ' 591' ' ' VAL . 47.8 tpp -94.31 105.23 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.739 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.9 Cg_endo -82.67 64.07 8.08 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 123.289 2.659 . . . . 0.0 112.966 -175.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.5 t -102.82 -69.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.05 -103.34 1.43 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.575 -1.298 . . . . 0.0 112.5 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -112.66 138.89 48.8 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.322 0.582 . . . . 0.0 111.036 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.5 m-85 -121.24 132.09 54.61 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.819 174.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -130.1 155.09 46.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.388 . . . . 0.0 110.517 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.2 127.61 38.27 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -74.12 124.77 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -135.19 157.26 47.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.5 137.41 37.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.811 0.815 . . . . 0.0 110.868 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.605 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.9 p -128.86 164.64 37.32 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.748 178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.4 Cg_endo -61.95 -11.27 20.62 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.537 2.158 . . . . 0.0 112.574 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.605 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.7 pt-20 -101.73 -13.91 17.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.933 0.397 . . . . 0.0 110.406 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.02 -163.09 24.83 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.484 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.4 125.71 33.2 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 110.997 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -139.36 151.54 46.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.968 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -86.95 111.36 20.75 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.7 125.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.253 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.11 135.87 42.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.099 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.49 142.09 27.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 18.6 m -79.81 165.96 22.21 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.73 -30.91 61.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.646 0.26 . . . . 0.0 111.403 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -73.99 -29.61 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.794 0.331 . . . . 0.0 111.151 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -81.89 -29.09 32.58 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.911 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.2 mt -46.01 -58.42 6.37 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.196 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 25.5 Cg_endo -61.63 -29.63 84.37 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.515 2.143 . . . . 0.0 112.645 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 37.0 t -64.21 -40.69 96.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 109.912 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.418 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.1 mpt_? -73.55 -40.06 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.3 mt -57.21 -39.36 66.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 25.1 mm-40 -58.76 -35.28 72.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.86 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -80.6 -43.32 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 617' ' ' ARG . 45.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.119 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.103 0.478 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.51 144.49 28.76 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.19 173.585 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.33 -42.9 57.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.559 2.173 . . . . 0.0 112.305 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.15 -39.17 78.09 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 11.8 mm-40 -72.19 -34.02 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.712 ' HB ' HG21 ' A' ' 591' ' ' VAL . 68.9 t -69.8 -31.75 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.745 0.307 . . . . 0.0 111.464 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.0 ptm180 -80.04 -16.75 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.232 -0.292 . . . . 0.0 111.251 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.51 -53.67 43.27 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 178.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 23.1 Cg_endo -63.34 -27.84 71.64 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.209 1.939 . . . . 0.0 112.185 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 25.8 mt -66.35 -19.66 65.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.0 110.146 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 6.8 mt-30 -87.27 -12.0 47.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.14 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -122.89 56.32 1.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 83.83 -42.59 3.07 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.186 -1.007 . . . . 0.0 114.005 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.556 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 77.2 m95 -60.38 152.31 25.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.518 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.33 160.11 34.06 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.706 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.3 ttt180 -144.13 118.7 9.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.696 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.12 136.27 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.899 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.15 125.9 73.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.053 0.454 . . . . 0.0 110.914 -173.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.12 122.61 46.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.458 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.81 124.39 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.291 0.567 . . . . 0.0 110.83 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -131.04 146.33 52.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.242 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.0 tptm -77.97 130.3 36.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.256 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -106.84 169.01 14.72 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.772 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -72.07 -20.75 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -102.95 -50.25 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.648 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -153.3 -177.4 6.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.611 . . . . 0.0 111.199 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 55.4 m95 -85.11 125.07 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.415 173.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -125.78 157.66 36.92 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.656 0.741 . . . . 0.0 111.505 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.24 151.1 23.12 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.542 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -141.21 149.39 41.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.934 0.873 . . . . 0.0 111.128 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.509 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -106.22 126.67 52.51 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.817 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -108.14 147.54 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.829 0.823 . . . . 0.0 110.563 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.706 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -131.21 153.47 49.43 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.864 -1.516 . . . . 0.0 110.18 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -135.19 129.27 33.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.8 129.96 16.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.46 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.64 -17.54 48.02 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.711 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 63.0 m -128.47 5.6 5.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.426 -175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.09 -141.98 3.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.391 -169.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -177.13 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.018 -0.591 . . . . 0.0 111.759 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.552 ' H ' ' NE ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -120.7 140.38 51.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 175.715 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.25 149.03 50.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.768 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.513 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.63 9.24 2.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.645 0.736 . . . . 0.0 109.685 174.633 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -119.82 145.36 46.7 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.575 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.7 t80 -57.66 -49.89 91.2 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.966 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.555 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 42.3 Cg_endo -66.25 -13.73 41.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.024 1.816 . . . . 0.0 112.336 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -85.16 -27.06 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.331 0.586 . . . . 0.0 110.548 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.587 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 47.2 t -78.64 -46.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.626 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -58.82 -32.82 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.555 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.4 ptpt -74.15 -37.02 64.15 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.567 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.49 -41.78 99.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.3 mt -68.34 -32.29 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.117 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 37.0 m -74.11 -44.25 54.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.263 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.4 mtp180 -75.54 -32.27 60.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.359 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -111.54 178.99 4.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.831 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.13 117.79 55.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.797 0.332 . . . . 0.0 110.214 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 35.4 t -141.23 110.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' HIS . . . . . 0.408 ' HA ' ' NH1' ' A' ' 579' ' ' ARG . 7.2 p-80 -111.63 -11.77 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 31.5 p -80.21 -44.55 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 0.0 110.704 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.464 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.9 m -121.88 141.88 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.728 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.446 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 24.3 mmt180 -112.64 173.14 6.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.529 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.15 -32.28 54.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.0 pt-20 -61.01 -26.36 67.55 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.0 m80 -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.318 0.58 . . . . 0.0 110.735 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.463 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 36.1 m-85 -108.03 127.63 53.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.486 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 74.6 p -136.39 137.89 41.0 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 57.2 m-85 -106.88 -2.82 20.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.669 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 62.8 m -62.08 118.03 35.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.5 13.31 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.454 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 17.6 mtm180 -98.37 -0.64 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -94.82 104.12 13.6 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.987 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 85.5 Cg_endo -82.22 67.54 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.987 2.458 . . . . 0.0 112.576 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 84.5 t -104.98 -68.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.74 -108.63 1.8 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.523 -1.322 . . . . 0.0 112.509 -173.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.8 138.88 46.64 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.59 0.709 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -122.25 132.49 54.45 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.373 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.13 155.05 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 4.7 tp10 -134.08 123.89 25.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.763 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.74 124.93 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -134.49 157.55 46.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.933 -174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.59 137.23 37.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 0.0 111.358 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.9 p -131.94 164.23 44.48 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.128 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.5 Cg_endo -62.32 -10.83 19.9 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.631 2.221 . . . . 0.0 112.677 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.1 pt-20 -101.85 -14.82 17.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.007 0.432 . . . . 0.0 110.211 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.38 -169.84 24.12 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.012 -1.09 . . . . 0.0 113.854 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.3 mt -82.33 122.49 28.03 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.314 0.578 . . . . 0.0 110.043 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.482 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.7 pt20 -138.06 150.46 46.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.847 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -88.72 111.73 22.32 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.79 126.68 45.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.328 0.585 . . . . 0.0 110.514 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -73.31 134.7 44.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.958 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 26.7 mt -98.2 145.73 26.32 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -175.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 614' ' ' ILE . 3.8 m -81.36 166.55 20.35 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.71 -35.78 56.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.195 0.309 . . . . 0.0 111.654 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -78.68 -24.33 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.751 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.86 -28.64 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.2 mt -46.64 -58.45 6.8 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.947 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.5 Cg_endo -62.16 -29.88 81.34 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.362 2.042 . . . . 0.0 112.83 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 22.5 t -69.56 -34.22 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.338 0.59 . . . . 0.0 109.663 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.63 -42.39 64.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.542 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 614' ' ' ILE . 66.9 mt -56.97 -39.79 68.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.047 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.7 mm-40 -57.85 -35.42 70.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.73 44.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.951 0.405 . . . . 0.0 111.196 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.542 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 120.749 0.309 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.06 144.66 29.08 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 176.433 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -42.89 60.2 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.212 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.69 -42.15 78.58 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 23.0 mm-40 -73.1 -33.6 65.69 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.613 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.724 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.5 t -70.99 -34.29 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.052 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.586 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.6 ptm180 -78.89 -15.28 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.228 -0.295 . . . . 0.0 111.266 176.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.71 -54.8 32.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 122.801 0.44 . . . . 0.0 111.856 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.3 Cg_endo -60.34 -26.68 83.25 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.322 2.015 . . . . 0.0 112.363 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 37.4 mt -68.8 -20.28 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -92.49 -7.46 47.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.337 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -104.39 -29.88 10.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.33 -24.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.788 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 42.4 m95 -69.29 162.7 26.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.757 0.313 . . . . 0.0 110.614 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.433 ' HA ' HD22 ' A' ' 529' ' ' LEU . 79.2 ttt180 -137.36 161.37 36.47 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 172.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 5.0 ttt180 -144.42 119.56 10.11 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.525 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -116.55 141.69 47.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.497 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.13 120.55 64.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.257 0.551 . . . . 0.0 109.929 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -105.05 119.78 39.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.097 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.9 mt -113.48 123.34 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.56 0.695 . . . . 0.0 110.675 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -130.5 146.55 52.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.222 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.446 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.5 tptm -76.32 124.61 27.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.13 168.3 23.23 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.525 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.6 m -66.94 -29.52 69.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.592 . . . . 0.0 110.217 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -98.0 -59.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.248 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -140.28 -178.47 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 111.396 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 30.0 m95 -83.77 124.35 30.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.074 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.12 154.57 44.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.672 0.748 . . . . 0.0 112.043 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.4 150.27 22.51 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.652 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -136.38 148.06 47.64 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.51 0.671 . . . . 0.0 110.281 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 70.5 m -107.98 126.45 52.73 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.601 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -107.65 147.57 30.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.983 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.6 OUTLIER -132.99 149.2 52.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.086 177.138 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.6 133.08 43.21 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.552 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.68 136.99 29.95 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -51.18 -30.16 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 123.173 2.582 . . . . 0.0 113.583 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.22 -25.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.274 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -83.41 -150.49 10.03 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.896 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.96 -177.95 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 -177.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.417 ' HD3' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -121.26 141.5 50.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.386 0.612 . . . . 0.0 110.664 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.454 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -123.36 144.84 49.2 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.685 -176.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -122.23 -3.61 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -115.67 144.92 43.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.388 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.691 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.5 t80 -58.84 -48.66 96.39 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.305 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.8 Cg_endo -63.62 -14.15 40.89 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.338 2.025 . . . . 0.0 112.395 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 67.5 mm-40 -84.84 -26.97 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.353 0.597 . . . . 0.0 111.096 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 61.8 t -79.74 -44.1 23.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.614 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -58.83 -32.55 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 121.282 0.563 . . . . 0.0 111.172 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.43 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.9 ptpt -74.52 -38.61 62.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.666 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -61.78 -44.12 97.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 -176.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -67.97 -39.89 83.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.368 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.7 m -72.79 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.863 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -77.6 -36.98 51.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 111.06 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -102.2 -171.34 1.95 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.176 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.55 116.41 52.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 58.9 t -142.65 120.25 7.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -114.04 -30.82 6.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.463 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.7 m -69.42 -44.37 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.49 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.95 137.75 49.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.42 0.629 . . . . 0.0 112.59 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -113.35 171.38 7.59 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.47 -32.45 57.76 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.767 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.44 -28.9 65.72 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 35.5 m80 -74.35 -11.76 60.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 111.023 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.429 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 59.8 m-85 -108.64 128.19 54.62 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.79 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.3 t -135.49 134.51 39.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -108.33 -2.43 19.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 111.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.1 m -61.74 117.39 27.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.55 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -74.54 11.59 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.63 2.22 . . . . 0.0 112.259 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 588' ' ' ARG . 48.1 mtm180 -94.74 -2.67 50.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.747 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.9 tpp -96.47 106.35 28.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.417 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 614' ' ' ILE . 92.7 Cg_endo -82.89 67.48 7.78 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.238 2.625 . . . . 0.0 112.928 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 589' ' ' MET . 76.8 t -104.96 -73.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.44 -95.42 0.84 Allowed Glycine 0 C--N 1.336 0.542 0 C-N-CA 119.532 -1.318 . . . . 0.0 112.857 -170.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.49 138.57 54.55 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.9 m-85 -123.01 132.54 54.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.336 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.85 155.26 46.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -134.31 129.37 35.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.23 126.27 30.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.155 0.502 . . . . 0.0 110.034 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -134.02 156.73 47.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.979 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -102.9 145.47 29.76 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.546 0.688 . . . . 0.0 111.094 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 20.6 p -136.41 165.21 37.17 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.324 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.554 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.7 Cg_endo -60.23 -10.37 12.84 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.937 2.424 . . . . 0.0 112.709 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 13.3 pt-20 -102.11 -15.78 16.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.143 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.48 -174.98 20.46 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.642 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.6 121.72 20.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.212 0.53 . . . . 0.0 110.663 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.463 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.2 pt20 -135.79 145.97 47.08 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.633 178.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -88.54 111.83 22.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.7 t -92.36 127.1 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.462 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -74.23 136.59 42.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.003 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.17 142.85 27.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.2 m -79.48 167.04 21.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.99 -32.4 61.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 111.392 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.16 -25.89 47.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.559 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -82.04 -29.52 31.89 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 611' ' ' ALA . 43.5 mt -47.77 -58.72 7.01 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.073 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.7 Cg_endo -59.97 -30.95 92.84 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.542 2.162 . . . . 0.0 112.616 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 m -66.25 -39.64 89.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.027 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -72.6 -39.18 67.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.845 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.0 mt -56.48 -41.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.843 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.0 mm-40 -56.43 -34.97 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.094 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -79.2 -43.85 23.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.735 0.302 . . . . 0.0 111.006 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.491 0.662 . . . . 0.0 110.177 178.457 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -100.48 147.68 33.92 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.505 177.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.1 -42.49 64.38 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.791 2.327 . . . . 0.0 112.116 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 526' ' ' ARG . 13.2 pt-20 -60.29 -37.91 81.96 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.69 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 27.9 mm-40 -72.09 -33.64 68.05 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.716 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -71.79 -31.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.833 0.349 . . . . 0.0 111.348 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 7.7 ptm180 -79.94 -15.64 56.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.352 -0.218 . . . . 0.0 111.197 174.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.22 -49.65 74.84 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 122.361 0.264 . . . . 0.0 111.213 177.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.4 Cg_exo -55.73 -37.85 95.03 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.43 2.087 . . . . 0.0 112.376 174.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -63.08 -25.24 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.511 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.72 -8.03 58.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -128.12 55.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.521 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.08 -45.93 3.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.128 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.8 m95 -60.85 156.46 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -175.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -133.38 161.33 34.81 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.741 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.5 tmt_? -147.77 119.42 8.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.116 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -114.52 142.18 46.74 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.403 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.5 116.79 53.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -107.56 118.02 35.62 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.245 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 41.9 mt -110.74 123.62 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 121.544 0.688 . . . . 0.0 110.472 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.89 144.19 50.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.44 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.35 122.74 22.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -86.89 168.43 39.31 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.576 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.4 m -64.7 -27.35 68.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.257 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -109.12 -58.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.875 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -135.74 -173.25 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.079 0.466 . . . . 0.0 111.365 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -85.86 124.84 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.446 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -128.64 161.16 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.576 0.703 . . . . 0.0 111.856 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.13 151.66 23.41 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -139.2 150.28 45.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.878 0.847 . . . . 0.0 111.387 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 27.5 m -104.47 126.68 51.78 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.016 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -107.97 146.05 33.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 110.425 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.741 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.2 m-85 -130.98 152.81 49.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.083 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -135.18 130.11 34.82 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.82 131.41 25.9 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.446 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.16 6.6 2.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.169 -175.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.89 -142.18 3.34 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.031 -1.08 . . . . 0.0 112.993 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.49 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -78.62 -177.41 5.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.341 -0.429 . . . . 0.0 111.263 -176.733 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -120.87 142.67 49.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.143 0.497 . . . . 0.0 110.338 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -127.94 145.0 51.1 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.901 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -135.03 11.97 3.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.884 0.85 . . . . 0.0 109.397 176.514 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 20.5 mm-40 -121.93 145.13 48.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.494 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.6 t80 -58.23 -49.62 92.6 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.788 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 40.9 Cg_endo -65.18 -13.6 40.63 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.269 1.979 . . . . 0.0 112.422 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 35.4 mm-40 -86.93 -25.89 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.146 0.498 . . . . 0.0 110.929 176.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.16 -44.1 27.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.432 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 12.6 mm -57.67 -33.41 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -178.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.2 -37.8 63.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.834 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.12 -42.03 97.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.56 -38.56 84.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.39 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 40.9 m -72.68 -41.22 65.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.521 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 28.8 mtp180 -78.61 -19.16 53.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 -176.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -118.76 -171.24 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.038 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.6 t -114.52 116.54 52.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 22.7 t -144.83 110.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.006 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -109.09 -25.76 10.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.2 m -69.44 -44.49 71.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.079 0.466 . . . . 0.0 110.605 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 528' ' ' PRO . 15.7 m -121.48 138.72 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.449 0.643 . . . . 0.0 112.309 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.452 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 23.2 mmm180 -112.42 175.47 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.441 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -55.2 -31.28 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.345 0.521 . . . . 0.0 111.781 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.452 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.8 pt-20 -61.31 -21.74 64.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.0 m80 -82.45 -10.71 58.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.583 0.706 . . . . 0.0 110.634 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.581 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 72.4 m-85 -107.08 127.18 53.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.0 m -136.11 132.05 35.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.485 ' CE1' ' HD2' ' A' ' 552' ' ' TYR . 53.5 m-85 -103.23 -0.45 30.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.788 -176.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 24.4 m -62.85 117.62 34.13 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.696 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.8 11.42 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.006 2.471 . . . . 0.0 112.081 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -100.37 2.26 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.814 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -97.83 104.5 21.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.216 176.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 90.6 Cg_endo -81.51 70.54 7.29 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.985 2.457 . . . . 0.0 112.712 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.5 t -105.43 -70.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.52 -109.91 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.684 -1.246 . . . . 0.0 112.266 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -109.62 139.22 44.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.369 0.604 . . . . 0.0 110.582 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.0 m-85 -120.31 132.71 55.42 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.299 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.79 155.14 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.11 127.22 37.68 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.281 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -74.68 120.3 20.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -136.8 156.9 47.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.113 -172.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.39 143.16 30.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.863 0.839 . . . . 0.0 110.882 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.8 p -135.75 164.84 40.5 Favored Pre-proline 0 C--N 1.305 -1.366 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.18 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.5 Cg_endo -59.24 -14.97 26.58 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.873 2.382 . . . . 0.0 112.859 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.578 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.1 pt-20 -97.14 -17.96 19.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.13 0.49 . . . . 0.0 110.265 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.68 -164.99 25.15 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.222 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.25 122.47 28.46 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -137.05 151.0 48.43 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.979 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -88.56 110.2 20.7 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 50.8 t -93.84 128.8 44.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.208 0.528 . . . . 0.0 110.529 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -74.13 135.68 42.9 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.063 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.4 mt -96.1 142.61 28.08 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.453 ' O ' HG13 ' A' ' 614' ' ' ILE . 4.0 m -79.65 166.75 21.52 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.09 -34.36 56.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.091 0.244 . . . . 0.0 111.349 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.94 -29.96 63.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.103 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.03 -28.83 32.29 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 110.872 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.1 mt -46.92 -58.54 6.81 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.153 -0.93 . . . . 0.0 113.251 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.648 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.9 Cg_endo -60.72 -32.95 93.63 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.405 2.07 . . . . 0.0 112.683 -175.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.2 m -64.46 -39.89 94.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 0.0 110.274 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -72.03 -39.57 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.0 mt -56.73 -42.99 78.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.109 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.4 mm-40 -58.48 -32.95 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.7 -43.4 25.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.058 0.456 . . . . 0.0 110.726 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 0.0 110.169 178.507 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -104.0 143.86 27.51 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.16 171.829 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.45 -42.91 58.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 112.277 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.95 -39.94 79.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 18.1 mm-40 -72.71 -31.79 65.26 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.22 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.761 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -71.35 -31.98 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.865 0.364 . . . . 0.0 111.283 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 1.2 ptm180 -80.34 -14.33 58.44 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.532 174.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -51.45 -48.49 86.2 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 122.191 0.196 . . . . 0.0 111.327 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.605 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 49.7 Cg_exo -56.93 -37.09 99.16 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.407 2.071 . . . . 0.0 112.223 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 71.1 mt -63.47 -20.9 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.3 mt-30 -87.05 -17.04 33.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.565 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -122.01 58.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.42 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 84.01 -38.94 2.84 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.409 174.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 71.2 m95 -64.38 155.42 32.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.315 0.557 . . . . 0.0 111.611 -176.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -130.95 157.67 42.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.646 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.6 ttt180 -146.12 119.88 9.24 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.693 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.07 141.91 46.86 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.339 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.76 117.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.22 120.83 43.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.757 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.74 125.1 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.927 -174.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -132.58 142.73 49.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.015 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.5 tptm -73.55 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.657 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.37 168.92 20.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.001 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -69.24 -25.88 64.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.039 0.447 . . . . 0.0 110.269 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -101.51 -55.06 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.787 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -146.95 -174.94 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.142 0.496 . . . . 0.0 111.208 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 47.8 m95 -87.17 124.71 33.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.788 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -125.65 163.74 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.611 0.72 . . . . 0.0 111.457 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.19 150.53 22.29 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.624 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -136.71 148.01 47.08 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.714 0.769 . . . . 0.0 110.791 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 55.5 m -106.48 125.42 50.98 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.76 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.14 145.59 33.93 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.655 0.741 . . . . 0.0 110.409 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.646 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 13.9 m-85 -131.58 153.88 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -134.19 130.89 37.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.583 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.76 19.86 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' PRO . . . . . 0.444 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 42.9 Cg_endo -68.65 -7.17 19.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.834 2.356 . . . . 0.0 113.034 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -135.32 5.14 3.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.14 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.91 -142.58 3.44 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.747 -1.216 . . . . 0.0 113.286 -168.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.416 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.2 OUTLIER -76.68 -176.49 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.449 . . . . 0.0 111.401 -175.718 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.72 138.23 53.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.214 0.531 . . . . 0.0 110.348 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.5 mpp? -121.45 144.54 48.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 -176.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.62 8.95 2.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.814 0.816 . . . . 0.0 110.14 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.426 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 14.0 mm100 -119.88 145.77 46.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.393 173.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.3 t80 -55.31 -49.08 94.45 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.462 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 33.4 Cg_endo -63.74 -15.71 50.48 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.243 1.962 . . . . 0.0 112.537 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 560' ' ' MET . 98.7 mt-10 -84.09 -27.96 27.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 176.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.636 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.1 t -77.67 -44.21 29.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.422 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.2 mm -58.88 -33.06 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.132 0.491 . . . . 0.0 111.025 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -74.16 -38.63 63.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.005 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -65.46 -41.67 93.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 27.1 mt -66.39 -35.01 79.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.191 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 45.7 m -73.46 -44.65 57.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.02 -35.71 59.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.046 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.49 170.2 8.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.56 116.27 31.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.88 132.98 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -138.06 -26.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.782 0.325 . . . . 0.0 110.776 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 22.5 m -68.06 -39.21 83.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 0.0 110.551 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 528' ' ' PRO . 9.8 m -121.06 138.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.671 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -113.41 175.36 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.433 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.32 -31.34 53.99 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.402 0.546 . . . . 0.0 112.174 -176.55 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.65 -28.09 65.36 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 42.3 m80 -77.65 -11.91 59.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.543 . . . . 0.0 110.965 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.58 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 59.2 m-85 -107.76 126.99 53.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.774 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 78.4 p -136.42 137.99 41.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.466 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.3 m-85 -106.47 -3.41 20.95 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.798 -176.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.3 m -61.8 118.6 40.03 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.15 12.82 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.924 2.416 . . . . 0.0 112.287 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -99.25 1.18 44.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.813 ' HG3' HG23 ' A' ' 591' ' ' VAL . 55.3 tpp -98.86 103.5 19.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.439 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 87.0 Cg_endo -80.18 71.22 7.16 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 123.001 2.467 . . . . 0.0 112.569 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.813 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.0 t -106.39 -71.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -176.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.26 -112.12 0.96 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.546 -1.311 . . . . 0.0 112.352 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -110.49 141.34 43.75 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.36 0.6 . . . . 0.0 110.346 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.1 m-85 -119.85 132.57 55.61 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.037 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -130.97 152.33 50.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.112 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.411 ' HB3' HD11 ' A' ' 609' ' ' LEU . 8.6 pt-20 -132.82 131.64 41.27 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.0 121.3 21.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 598' ' ' ARG . 19.3 ttt180 -134.14 158.08 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.022 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -100.46 140.7 34.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.489 0.661 . . . . 0.0 110.831 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.2 p -134.35 165.0 39.94 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.815 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.18 -12.58 23.87 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.493 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.4 pt-20 -99.98 -13.62 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.001 0.429 . . . . 0.0 110.464 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.55 -170.48 22.33 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 119.807 -1.187 . . . . 0.0 114.068 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.25 117.61 20.42 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.426 0.632 . . . . 0.0 110.636 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -135.32 153.08 51.98 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.51 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.26 110.57 20.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.76 128.58 45.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.85 135.87 43.43 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.818 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 596' ' ' GLU . 39.6 mt -95.6 143.16 27.12 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 614' ' ' ILE . 50.5 m -88.68 169.58 11.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.55 -34.05 56.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.165 0.291 . . . . 0.0 111.769 -175.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 5.8 mp0 -67.33 -35.95 80.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 110.031 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -81.65 -30.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.089 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 618' ' ' ILE . 37.8 mt -46.18 -59.15 5.22 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.279 -176.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 37.2 Cg_endo -64.64 -28.25 60.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.347 2.031 . . . . 0.0 112.658 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.6 m -69.22 -36.68 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.065 0.46 . . . . 0.0 110.259 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.0 -38.83 66.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 174.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -57.03 -38.39 60.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.695 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 26.0 mm-40 -57.91 -36.05 71.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.734 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.11 -45.08 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.001 0.429 . . . . 0.0 111.139 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 618' ' ' ILE . 38.5 pt . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.197 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.811 0.339 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.73 148.1 34.56 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.137 175.269 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 522' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 591' ' ' VAL . 10.3 Cg_endo -52.47 -42.49 60.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.284 . . . . 0.0 112.167 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -57.25 -40.33 77.41 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.446 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.5 mm-40 -71.85 -38.38 70.11 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.326 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 521' ' ' THR . 87.9 t -66.83 -30.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.36 -15.26 43.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.842 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.63 -54.24 33.23 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.483 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 18.7 Cg_endo -60.18 -29.81 89.9 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.704 2.27 . . . . 0.0 112.597 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 41.5 mt -68.78 -19.93 64.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.527 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -86.69 -21.41 26.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.255 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -92.78 -27.12 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.837 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.86 -25.82 0.92 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.047 -1.073 . . . . 0.0 112.606 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.53 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.8 m95 -63.83 157.15 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.653 0.263 . . . . 0.0 110.558 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -133.78 158.87 42.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.61 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 8.4 ttt180 -143.29 120.94 11.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -112.22 139.13 48.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.22 115.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.488 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 89.4 mtt180 -106.6 119.48 39.4 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.482 -174.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.03 123.61 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.305 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -130.52 147.32 52.19 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.069 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.428 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.3 tptm -75.61 124.77 27.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.761 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.68 167.47 24.45 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.247 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.5 m -71.65 -18.55 62.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.151 0.5 . . . . 0.0 110.457 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.24 -54.37 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.607 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.09 -176.82 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.428 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 42.4 m95 -82.26 125.07 30.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.525 176.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -126.19 157.83 37.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.437 0.637 . . . . 0.0 111.525 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -150.79 150.74 22.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.863 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.83 148.5 47.18 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.6 0.714 . . . . 0.0 110.673 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 51.2 m -108.31 125.83 52.14 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.029 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -109.4 149.27 29.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.193 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.61 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 19.5 m-85 -132.28 154.83 49.28 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.099 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.9 131.88 39.63 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.53 131.43 16.58 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.233 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 -26.94 44.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.505 2.137 . . . . 0.0 112.179 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.2 p -119.44 6.31 11.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.703 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.55 -146.1 4.38 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.661 -1.256 . . . . 0.0 113.324 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.08 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 0.0 111.573 -176.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 143.32 45.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.501 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -126.17 143.79 51.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.293 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -135.27 7.93 3.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.791 0.805 . . . . 0.0 109.899 176.555 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.493 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 17.1 mm-40 -118.2 145.39 45.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.402 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.764 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -54.41 -49.8 88.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.493 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.0 Cg_endo -64.0 -14.04 41.02 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.317 2.011 . . . . 0.0 112.711 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.501 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 36.8 mt-10 -84.37 -28.57 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.258 0.552 . . . . 0.0 111.057 176.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 62.2 t -78.87 -43.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.491 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -60.17 -32.9 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 19.8 ptpt -73.74 -38.06 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.173 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -64.91 -42.38 94.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -175.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.7 mt -68.2 -38.9 82.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.575 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.7 t -73.03 -40.42 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.544 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.8 mtp180 -77.19 -42.88 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 111.53 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -98.15 -177.12 3.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.842 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.23 115.9 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.103 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 47.0 t -146.16 123.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -123.66 -27.33 4.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 p -68.95 -43.85 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 111.054 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.429 HG11 ' CA ' ' A' ' 528' ' ' PRO . 2.4 m -117.61 137.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.705 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.41 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 12.5 mmm180 -113.44 171.49 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.469 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.77 -31.63 58.93 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -176.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.9 pt-20 -57.33 -30.62 64.95 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.54 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 40.8 m80 -74.26 -12.56 60.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.986 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.484 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.4 m-85 -109.83 126.38 53.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.541 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 69.2 p -134.82 137.75 43.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 60.5 m-85 -106.21 -2.38 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.036 0.446 . . . . 0.0 111.199 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.0 m -62.73 115.18 15.2 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.955 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.52 12.91 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.839 2.359 . . . . 0.0 112.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -98.83 1.04 45.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.68 0.753 . . . . 0.0 109.017 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 53.7 tpp -93.62 108.29 33.12 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.771 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.2 55.95 5.26 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.272 2.648 . . . . 0.0 112.472 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 522' ' ' PRO . 43.8 t -137.17 140.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.328 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 104.08 -122.79 7.51 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.01 140.78 36.31 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -119.85 132.05 55.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.014 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -129.12 153.35 47.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 0.0 110.402 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -130.43 123.75 30.52 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.81 120.84 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -132.14 158.21 42.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.86 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -99.67 143.83 29.45 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.819 0.818 . . . . 0.0 110.845 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.607 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.9 p -135.39 164.59 42.61 Favored Pre-proline 0 C--N 1.306 -1.32 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.173 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.9 Cg_endo -61.87 -11.24 20.19 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.584 2.19 . . . . 0.0 112.704 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.607 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 14.9 pt-20 -102.63 -15.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.561 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.18 -171.71 23.53 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.681 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.14 123.71 29.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.313 0.578 . . . . 0.0 110.141 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.0 pt20 -136.43 150.76 48.91 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.373 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 64.4 m95 -87.06 110.11 19.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.69 124.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.207 0.527 . . . . 0.0 110.548 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -73.19 136.06 44.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.049 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 613' ' ' GLU . 24.4 mt -98.52 145.37 26.86 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 614' ' ' ILE . 16.8 p -80.69 167.38 20.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.19 -35.08 48.11 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.11 -31.73 64.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.03 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.428 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 35.6 mt-10 -81.66 -28.54 33.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.925 0.393 . . . . 0.0 110.948 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 611' ' ' ALA . 35.2 mt -46.32 -58.55 6.36 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.1 Cg_endo -60.71 -33.27 93.37 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.533 2.155 . . . . 0.0 112.89 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.26 -35.26 77.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.452 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -72.81 -40.59 65.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 614' ' ' ILE . 67.9 mt -56.98 -44.27 82.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.829 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 35.3 mm-40 -54.91 -34.11 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.81 -43.25 25.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.3 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.457 0.646 . . . . 0.0 109.98 178.132 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.992 0.425 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.94 147.02 33.31 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 175.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.2 -42.96 61.15 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.938 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.26 -40.61 78.02 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.556 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 528' ' ' PRO . 15.9 mm-40 -71.56 -35.97 70.79 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 111.273 175.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 521' ' ' THR . 94.0 t -68.4 -30.7 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.345 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.75 -15.11 49.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.769 178.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.72 -50.92 78.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 122.727 0.411 . . . . 0.0 111.615 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.6 Cg_exo -60.22 -32.39 94.32 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.189 1.926 . . . . 0.0 112.295 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.6 mt -67.13 -20.71 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.471 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 31.9 mt-30 -86.11 -21.38 27.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.325 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.021 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' GLY . . . . . 0.507 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 154.06 -28.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.731 -1.223 . . . . 0.0 113.18 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.459 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.6 m95 -62.21 156.42 21.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 110.662 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -131.8 158.1 42.15 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 7.3 ttt180 -142.9 120.14 11.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.26 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -113.58 139.38 49.05 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.42 117.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.7 mtt180 -102.67 119.86 39.57 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.102 -175.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 32.6 mt -114.71 122.75 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-O 121.449 0.642 . . . . 0.0 110.412 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -130.67 148.28 52.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.855 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.0 126.68 30.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.764 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.64 167.02 30.68 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.668 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.1 m -68.75 -25.0 64.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.219 0.533 . . . . 0.0 110.09 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -109.38 -57.78 2.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.714 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.67 -177.87 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.467 0.651 . . . . 0.0 111.818 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -84.98 125.29 32.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.869 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -125.72 149.63 48.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.816 0.817 . . . . 0.0 111.842 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -142.25 150.45 22.11 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.61 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.87 149.81 45.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.564 0.697 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 56.2 m -106.44 126.05 51.76 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.087 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -108.98 149.05 29.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 17.0 m-85 -133.69 152.03 51.79 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.661 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -133.91 132.87 40.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.372 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.02 139.18 32.19 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.986 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' PRO . . . . . 0.507 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 74.8 Cg_endo -78.42 -7.23 15.88 Favored 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 123.011 2.474 . . . . 0.0 112.341 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 48.6 t -141.35 5.54 1.86 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.339 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.62 -149.73 5.46 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.253 -169.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.551 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -74.82 -177.19 3.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.929 -0.636 . . . . 0.0 111.81 -175.251 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.74 140.36 50.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.101 0.477 . . . . 0.0 110.703 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -127.6 148.96 50.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.977 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.35 10.21 3.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.601 0.715 . . . . 0.0 109.526 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.08 145.78 43.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.775 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 567' ' ' ILE . 8.9 t80 -60.48 -49.59 89.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.601 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.536 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 46.8 Cg_endo -66.71 -10.92 29.85 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.216 1.944 . . . . 0.0 112.643 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.7 -26.8 22.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 111.079 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 64.9 t -79.45 -43.28 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.9 mm -59.01 -31.28 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.035 0.445 . . . . 0.0 111.393 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.3 ptpt -74.65 -36.32 62.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.079 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.65 -42.2 98.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.03 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.32 -42.15 84.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.146 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 19.7 m -72.96 -40.94 64.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.657 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -77.0 -17.03 59.13 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.459 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -123.1 -167.08 1.54 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.8 t -115.74 115.42 49.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 59.6 t -150.13 105.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.98 -9.37 10.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 21.5 m -73.77 -43.38 59.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 0.0 109.862 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 12.3 m -120.79 141.62 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.947 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.11 175.42 5.45 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.442 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.007 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.89 -27.51 65.29 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 47.2 m80 -73.0 -11.41 60.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.379 0.609 . . . . 0.0 110.632 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.505 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 48.2 m-85 -108.97 127.26 53.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.515 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 50.9 p -132.92 133.53 43.35 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.442 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.8 m-85 -102.64 -6.08 23.13 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.501 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 58.5 m -61.79 116.95 24.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.701 171.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.93 13.54 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.727 2.285 . . . . 0.0 112.172 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -94.24 -2.0 53.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.409 ' HG2' HG21 ' A' ' 525' ' ' VAL . 52.6 tpp -94.79 108.19 35.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.039 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.2 55.64 5.45 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.245 2.63 . . . . 0.0 112.814 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.27 141.41 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 102.0 -124.77 8.31 Favored Glycine 0 N--CA 1.435 -1.408 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -138.99 140.05 38.08 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.0 131.27 55.1 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.053 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -130.65 153.92 48.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.313 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -131.51 126.69 35.58 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.187 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.99 121.68 22.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -135.17 156.96 48.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.477 -172.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.54 134.24 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.573 0.702 . . . . 0.0 111.576 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.631 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.3 p -130.18 164.91 37.58 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.022 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.8 Cg_endo -61.65 -11.59 21.1 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.741 2.294 . . . . 0.0 112.892 177.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.631 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.6 pt-20 -99.68 -17.62 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.235 0.54 . . . . 0.0 109.823 175.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.87 -170.04 23.63 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.596 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.63 122.46 25.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.35 0.595 . . . . 0.0 110.145 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.451 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.3 pt20 -136.31 149.5 48.45 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 66.1 m95 -87.17 110.38 20.11 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.85 127.41 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.218 0.532 . . . . 0.0 110.573 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.78 134.97 43.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.95 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.7 mt -95.13 143.37 26.63 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -81.37 166.6 20.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.33 -33.88 59.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.428 0.156 . . . . 0.0 111.339 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.87 -29.99 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.679 0.276 . . . . 0.0 111.145 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.2 -27.98 32.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.7 mt -47.91 -58.12 8.57 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.738 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.539 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.0 Cg_endo -59.6 -32.94 96.8 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.646 2.23 . . . . 0.0 112.509 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.3 m -63.02 -40.99 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.07 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.9 mpt_? -72.87 -39.7 66.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.093 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.8 mt -56.78 -38.79 60.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.82 -34.36 75.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.22 -44.22 30.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.924 0.392 . . . . 0.0 111.181 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 617' ' ' ARG . 46.6 pt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.24 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.956 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.438 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.4 OUTLIER -99.52 153.41 37.79 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.41 174.608 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 522' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 7.8 Cg_endo -51.5 -43.46 49.95 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.029 1.819 . . . . 0.0 111.429 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.438 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 13.6 pt-20 -55.67 -42.49 75.17 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.431 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 7.4 mm-40 -69.57 -35.94 75.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.672 ' HB ' HG21 ' A' ' 591' ' ' VAL . 63.7 t -74.71 -31.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.999 0.428 . . . . 0.0 111.191 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.54 ' HB3' HG13 ' A' ' 591' ' ' VAL . 6.1 ptm180 -81.64 -15.77 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.55 -50.42 66.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 122.42 0.288 . . . . 0.0 111.066 177.23 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 40.9 Cg_exo -57.3 -36.62 98.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.522 2.148 . . . . 0.0 112.249 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 65.6 mt -63.33 -27.1 69.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.369 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 13.6 mt-30 -81.91 -19.69 40.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.873 -177.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -99.12 -21.95 15.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 147.23 -23.85 1.57 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.064 -1.065 . . . . 0.0 112.79 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.504 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 56.3 m95 -64.58 160.64 19.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.575 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -128.9 159.58 35.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.69 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 2.2 ttt180 -145.8 118.72 8.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.448 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.85 141.22 48.38 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.2 t -116.51 118.84 60.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.223 0.535 . . . . 0.0 109.67 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' A' ' 549' ' ' GLU . 89.2 mtt180 -101.74 117.91 35.84 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.303 -177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.1 mt -112.67 122.85 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.605 0.717 . . . . 0.0 110.795 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -128.6 146.34 50.88 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.764 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.439 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 24.5 tptm -73.52 122.35 22.06 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.47 169.16 32.67 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.271 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.8 m -66.21 -26.36 67.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.075 0.465 . . . . 0.0 110.487 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -106.56 -59.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.64 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -140.97 -170.06 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.439 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.7 m95 -85.47 124.5 32.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.582 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -128.2 159.96 33.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.508 0.67 . . . . 0.0 111.908 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -144.71 151.17 23.31 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.951 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 538' ' ' ARG . 9.2 pt-20 -133.76 145.03 49.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.269 0.557 . . . . 0.0 109.992 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.8 m -107.81 124.58 50.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.975 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -109.56 147.77 32.42 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.654 0.74 . . . . 0.0 110.794 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.69 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.0 m-85 -130.1 152.13 49.88 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.185 177.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -135.75 129.6 32.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.45 27.91 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.007 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.79 -6.94 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.908 2.405 . . . . 0.0 112.522 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.63 7.02 1.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.234 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.84 -148.18 5.01 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.096 -1.05 . . . . 0.0 113.046 -171.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -176.2 3.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.605 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.459 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.45 140.08 50.07 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.413 0.625 . . . . 0.0 110.601 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.16 144.76 50.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.518 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.44 8.64 2.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.761 0.791 . . . . 0.0 110.227 177.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.7 mm100 -117.29 145.49 43.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.673 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.6 t80 -55.64 -48.93 95.4 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.199 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.7 Cg_endo -62.23 -16.61 52.03 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.54 2.16 . . . . 0.0 112.622 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 92.7 mt-10 -83.84 -28.5 27.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.806 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.7 t -78.41 -44.82 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -57.83 -33.5 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.081 0.467 . . . . 0.0 111.334 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 18.9 ptpt -73.71 -39.1 64.58 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.27 -40.67 96.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.884 0.373 . . . . 0.0 110.255 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.6 mt -67.29 -32.26 73.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.8 t -73.83 -31.79 63.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.804 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 31.8 mtp180 -83.1 -34.46 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.819 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -115.62 152.96 32.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 38.8 t -79.67 116.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.89 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.9 111.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.022 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -108.13 -21.9 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 16.4 p -72.52 -45.46 59.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.489 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 528' ' ' PRO . 4.0 m -122.71 137.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.364 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -113.99 175.22 5.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.528 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.53 -32.4 40.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.3 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.55 -29.63 69.26 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 44.8 m80 -75.06 -11.21 60.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.656 0.741 . . . . 0.0 110.571 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.576 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.1 m-85 -107.71 125.25 51.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.366 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 34.4 t -135.96 134.66 38.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.8 m-85 -105.23 -2.42 24.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.816 -175.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 43.6 m -61.91 118.24 36.87 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' PRO . . . . . 0.464 ' HB2' HD12 ' A' ' 621' ' ' ILE . 84.2 Cg_endo -75.52 11.13 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.786 2.324 . . . . 0.0 112.001 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -100.85 2.33 40.92 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.712 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.5 tpp -95.36 103.71 13.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.815 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.407 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 91.5 Cg_endo -81.52 67.09 8.51 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.869 2.379 . . . . 0.0 112.691 -175.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 589' ' ' MET . 63.7 t -105.29 -71.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -173.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.84 -105.15 0.92 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.647 -1.263 . . . . 0.0 112.345 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.409 0.624 . . . . 0.0 110.733 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.417 ' HB2' HG12 ' A' ' 614' ' ' ILE . 12.9 m-85 -122.03 132.29 54.44 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.425 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -130.32 154.55 47.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.59 129.51 37.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -74.44 125.16 27.95 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -133.32 158.89 41.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.33 -175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.82 140.69 32.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.835 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.576 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.7 p -133.5 164.21 45.61 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.089 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 21.5 Cg_endo -61.03 -11.51 18.75 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.775 2.317 . . . . 0.0 112.664 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.576 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.2 pt-20 -101.83 -14.56 17.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.52 -169.45 24.32 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.84 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.41 120.69 27.16 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.929 -0.635 . . . . 0.0 110.506 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.525 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.8 pt20 -137.78 150.7 47.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.083 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -89.22 111.58 22.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 23.1 t -93.01 127.42 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.159 0.504 . . . . 0.0 110.218 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.34 135.25 44.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.809 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.65 142.62 27.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.6 m -82.55 165.36 20.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -66.89 -37.6 84.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.08 -27.08 33.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.5 mt -47.15 -58.94 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 33.0 Cg_endo -64.42 -27.57 62.72 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.247 1.965 . . . . 0.0 112.289 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 -39.83 92.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.292 0.568 . . . . 0.0 109.7 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.3 mpt_? -72.63 -39.07 67.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.674 176.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.6 mt -56.84 -38.23 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.014 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.6 mm-40 -59.68 -35.09 73.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.946 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.5 -43.97 25.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 587' ' ' PRO . 36.9 pt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.137 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 121.185 0.517 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.02 145.19 30.11 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.776 173.702 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.24 -42.56 59.22 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.5 2.134 . . . . 0.0 111.794 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.1 -42.65 81.17 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.109 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.2 mm-40 -72.75 -28.95 62.93 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 111.495 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.738 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.2 t -74.57 -32.9 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 4.4 ptm180 -78.84 -16.43 57.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.255 -0.278 . . . . 0.0 111.019 175.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.76 -53.91 37.21 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 122.822 0.449 . . . . 0.0 111.928 179.13 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.5 Cg_endo -59.97 -30.0 90.66 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.2 1.934 . . . . 0.0 112.321 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 52.5 mt -65.99 -24.44 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.249 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 8.6 mt-30 -84.11 -17.6 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.634 -177.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -101.19 -21.78 14.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.75 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' GLY . . . . . 0.476 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 149.62 -25.21 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.943 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.558 ' O ' ' HD2' ' A' ' 534' ' ' ARG . 66.0 m95 -63.23 157.19 23.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 534' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 533' ' ' TRP . 3.2 mpt_? -127.91 159.14 35.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 174.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.651 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.4 ttt180 -146.38 118.64 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.535 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -119.26 141.52 48.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.664 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.9 t -116.79 122.17 69.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.168 0.509 . . . . 0.0 110.158 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -104.94 120.59 41.82 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.912 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mt -114.39 123.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.329 0.585 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.35 146.64 51.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.006 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 47.3 tptt -79.79 129.09 34.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.986 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -100.77 169.53 21.24 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.87 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 51.9 m -64.96 -23.72 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -107.46 -59.24 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.047 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -135.14 -179.99 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.88 0.848 . . . . 0.0 111.974 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.3 m95 -86.25 124.19 32.35 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.246 170.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -128.39 148.93 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.967 0.889 . . . . 0.0 112.168 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -135.9 151.87 20.84 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.912 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.62 148.02 45.47 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.498 0.665 . . . . 0.0 110.337 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 59.5 m -107.01 125.36 50.91 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.955 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -109.05 148.44 30.79 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.712 0.768 . . . . 0.0 110.741 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.651 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.9 m-85 -131.36 152.05 50.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.957 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.9 129.5 34.46 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.05 135.68 37.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.178 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' PRO . . . . . 0.476 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 63.9 Cg_endo -74.37 -7.01 19.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.998 2.465 . . . . 0.0 112.354 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 10.3 p -143.95 7.3 1.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.116 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -147.79 4.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.757 -1.211 . . . . 0.0 113.518 -169.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -176.49 3.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.99 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.2 OUTLIER -118.01 143.18 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.105 0.478 . . . . 0.0 110.589 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -130.98 147.82 52.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.697 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -140.63 13.36 2.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.754 0.788 . . . . 0.0 110.004 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.448 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.0 mm100 -120.35 145.21 47.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.242 173.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.6 t80 -56.96 -49.65 92.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.454 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.581 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 36.0 Cg_endo -64.2 -15.41 49.32 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.21 1.94 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 37.7 mm-40 -86.54 -26.59 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.269 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 41.8 t -78.4 -43.45 26.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.791 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -57.72 -33.23 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 121.086 0.469 . . . . 0.0 111.308 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.0 ptpt -74.0 -37.37 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.275 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -61.97 -42.09 98.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.479 . . . . 0.0 109.903 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 21.9 mt -66.78 -34.41 77.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.8 t -73.34 -37.91 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.033 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 19.8 mtp180 -73.78 -30.6 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.63 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -115.52 176.7 4.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.32 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 63.2 t -99.82 116.37 42.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 54.4 t -145.19 108.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.91 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -106.54 -27.85 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.082 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 m -68.93 -43.95 74.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.895 0.378 . . . . 0.0 111.609 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.403 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.3 m -121.03 138.95 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.437 0.637 . . . . 0.0 112.596 -178.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.404 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 25.8 mmt180 -112.54 172.64 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.667 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.565 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -51.4 -33.44 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.423 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 581' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 11.9 pt-20 -60.96 -28.83 69.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.505 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 49.7 m80 -73.46 -11.65 60.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.0 110.71 -177.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.562 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 54.8 m-85 -107.72 123.73 48.96 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.207 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 73.3 p -135.54 133.82 38.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.505 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 65.3 m-85 -103.44 -0.45 29.96 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.379 -176.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 14.9 m -61.15 115.8 16.09 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.645 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.96 10.53 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.81 2.34 . . . . 0.0 112.072 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.417 ' HG2' HG23 ' A' ' 618' ' ' ILE . 57.2 mtp180 -96.58 -0.76 48.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.7 tpp -99.31 104.38 26.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.514 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.9 Cg_endo -80.99 74.95 5.3 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.89 2.393 . . . . 0.0 112.259 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.1 t -108.52 -69.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -89.78 -104.94 1.16 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.503 -1.332 . . . . 0.0 112.383 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.25 140.44 49.55 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.384 0.612 . . . . 0.0 110.999 -175.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.9 m-85 -121.49 132.15 54.55 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.285 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.64 154.21 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.42 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.414 ' CD ' ' HE ' ' A' ' 617' ' ' ARG . 39.6 tt0 -136.09 129.83 32.46 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.23 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 125.87 29.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 109.93 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -132.97 158.7 42.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.918 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.97 137.58 36.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.724 0.774 . . . . 0.0 111.066 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.561 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 17.4 p -129.44 164.67 38.08 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 114.728 -1.124 . . . . 0.0 108.981 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 29.4 Cg_endo -63.32 -11.56 26.12 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.447 2.098 . . . . 0.0 112.434 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.55 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.0 pt-20 -100.46 -15.1 18.01 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.915 0.388 . . . . 0.0 110.501 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.0 -166.38 25.17 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.649 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.75 120.96 27.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.361 0.601 . . . . 0.0 110.406 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.51 ' CD ' HG21 ' A' ' 600' ' ' THR . 11.8 pt20 -136.2 150.8 49.16 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.249 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -87.92 110.56 20.64 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.6 t -92.65 127.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.314 0.578 . . . . 0.0 110.656 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -74.48 134.89 42.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.045 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 596' ' ' GLU . 29.6 mt -95.46 143.09 27.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -178.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 8.2 m -81.28 167.02 19.99 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.36 -34.19 56.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.058 0.224 . . . . 0.0 111.474 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.91 -25.41 52.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.613 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.05 -28.91 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.143 0.497 . . . . 0.0 110.28 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.4 mt -48.39 -58.68 7.55 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.244 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 29.4 Cg_endo -62.84 -29.08 76.2 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.318 2.012 . . . . 0.0 112.378 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 31.9 t -66.11 -39.53 90.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 109.511 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.414 ' HE ' ' CD ' ' A' ' 596' ' ' GLU . 7.6 mpt_? -72.47 -39.49 67.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.979 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 614' ' ' ILE . 64.0 mt -57.31 -38.39 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.106 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -63.18 -33.99 76.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.838 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.28 45.1 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.925 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 -177.794 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.976 0 CA-C-O 121.402 0.62 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -103.19 149.41 36.9 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.447 171.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.09 -43.19 54.58 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.284 1.989 . . . . 0.0 111.723 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.408 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.2 pt-20 -56.26 -42.19 77.03 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.002 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 17.8 mm-40 -70.83 -33.28 70.52 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 111.062 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.777 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -74.43 -31.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.0 0.429 . . . . 0.0 111.193 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.55 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.0 ptm180 -78.64 -16.45 57.33 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.078 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.22 -49.98 66.81 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 122.424 0.29 . . . . 0.0 111.441 178.319 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.595 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -55.7 -37.97 94.84 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.481 2.12 . . . . 0.0 112.252 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 56.5 mt -65.83 -24.27 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 16.0 mt-30 -88.85 -7.85 55.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.596 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -112.89 -21.13 11.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.99 -27.37 0.91 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.253 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.46 163.49 15.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -130.53 157.51 42.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.626 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 2.1 ttt180 -146.69 119.03 8.37 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.773 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -118.84 141.84 48.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.627 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.79 122.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.129 0.49 . . . . 0.0 110.186 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ARG . . . . . 0.459 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.59 120.53 41.51 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.919 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.6 mt -113.49 122.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.383 0.611 . . . . 0.0 110.669 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -127.53 146.46 50.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.93 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.555 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -80.46 129.89 34.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.401 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.95 162.22 15.49 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.659 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 17.5 m -67.47 -20.03 65.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.896 0.379 . . . . 0.0 110.682 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.53 -49.4 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -153.22 -178.76 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.868 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.555 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.2 m95 -86.32 125.65 33.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.887 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -127.57 159.7 33.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 111.588 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.4 151.22 23.45 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.123 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -135.25 146.8 48.94 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.476 0.655 . . . . 0.0 110.288 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.2 m -108.18 125.58 51.8 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.743 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -108.54 146.95 32.48 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.792 0.806 . . . . 0.0 110.515 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.8 OUTLIER -131.94 149.57 52.4 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.807 178.06 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.25 128.5 34.0 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.9 132.19 26.19 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.84 -6.34 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.605 2.203 . . . . 0.0 112.299 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -138.55 5.39 2.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.158 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.35 -142.43 3.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.101 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.423 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -79.83 -176.3 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.449 -0.375 . . . . 0.0 111.145 -176.657 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -117.14 140.96 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.16 0.505 . . . . 0.0 110.391 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.557 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.76 144.83 51.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.61 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.91 8.24 2.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.676 0.75 . . . . 0.0 110.281 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.433 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.8 mm100 -115.69 146.07 42.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.989 172.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.2 t80 -56.79 -48.51 97.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.174 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.593 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 29.5 Cg_endo -62.26 -15.43 44.52 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.492 2.128 . . . . 0.0 112.693 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.557 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 43.5 mt-10 -83.71 -28.91 27.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.146 0.498 . . . . 0.0 111.127 175.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 58.4 t -78.83 -43.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.593 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.648 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -58.2 -32.98 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.497 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.9 ptpt -74.05 -38.78 63.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 178.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -63.34 -42.6 98.96 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.8 mt -66.73 -33.19 75.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.476 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -73.26 -44.54 59.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.838 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -70.43 -37.65 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.373 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -103.97 -179.69 4.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 44.6 t -106.83 116.35 50.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.6 t -146.87 118.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -121.51 -21.27 6.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 m -68.82 -41.63 78.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.146 0.498 . . . . 0.0 110.292 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 528' ' ' PRO . 14.0 m -121.35 138.67 50.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.739 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -113.36 175.82 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.507 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.82 -32.09 51.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -177.798 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.01 -26.47 68.26 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.53 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.1 m80 -76.0 -11.39 59.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.575 0.702 . . . . 0.0 110.471 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 71.3 m-85 -106.91 124.96 50.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.449 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.3 t -135.9 132.51 36.61 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 58.7 m-85 -104.13 2.73 32.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 18.9 m -61.62 115.67 16.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.63 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.32 10.3 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.894 2.396 . . . . 0.0 111.949 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -98.54 -0.19 43.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.834 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -98.02 104.72 23.69 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.201 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.432 ' HB3' HG21 ' A' ' 614' ' ' ILE . 87.3 Cg_endo -80.4 68.28 8.36 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 123.14 2.56 . . . . 0.0 112.775 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.834 HG23 ' HG3' ' A' ' 589' ' ' MET . 77.2 t -101.17 -70.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -96.61 -109.37 2.57 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.698 -1.239 . . . . 0.0 112.502 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 5.3 m-20 -103.45 137.17 41.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 -175.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -122.93 132.08 54.01 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.057 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 23.3 m-85 -129.86 153.69 48.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.615 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' A' ' 609' ' ' LEU . 40.3 tt0 -132.16 126.66 34.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.98 124.42 26.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.039 0.447 . . . . 0.0 110.074 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 599' ' ' ASP . 76.1 ttt180 -131.48 158.63 40.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.475 -173.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 598' ' ' ARG . 8.8 p-10 -97.07 137.03 36.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.669 0.747 . . . . 0.0 111.384 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 19.0 p -129.69 164.57 39.14 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.982 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.8 Cg_endo -62.37 -10.56 19.17 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.611 2.207 . . . . 0.0 112.693 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.0 pt-20 -102.06 -12.68 17.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.101 0.476 . . . . 0.0 110.26 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 134.01 -162.26 24.46 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.549 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.54 126.99 35.25 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.545 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -141.69 152.97 44.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.524 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 74.4 m95 -85.77 111.6 20.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 124.24 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.234 0.54 . . . . 0.0 110.503 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -73.53 135.28 43.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.346 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.2 mt -96.36 143.51 27.34 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.6 m -79.07 164.76 24.05 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 174.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.63 -33.41 46.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -79.78 -24.18 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.708 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -82.03 -27.05 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.077 0.465 . . . . 0.0 110.552 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 611' ' ' ALA . 46.1 mt -47.4 -59.02 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.012 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.98 -29.66 82.21 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.49 2.127 . . . . 0.0 112.795 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.0 m -66.2 -39.34 89.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.197 0.522 . . . . 0.0 109.94 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.49 -38.92 68.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.806 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.8 mt -56.64 -39.03 60.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.861 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.8 mm-40 -59.78 -34.86 73.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.62 39.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.6 pt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 178.859 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.848 0 CA-C-O 121.352 0.596 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.53 149.77 37.78 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.333 172.087 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -51.53 -43.46 50.11 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.313 2.009 . . . . 0.0 112.283 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.57 -42.41 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -71.22 -33.96 70.37 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.644 ' HB ' HG21 ' A' ' 591' ' ' VAL . 76.2 t -74.45 -30.77 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 111.029 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 10.6 ptp180 -81.85 -15.0 55.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.676 175.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.29 -50.21 71.98 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.468 0.307 . . . . 0.0 110.973 177.264 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 48.4 Cg_exo -56.98 -37.84 97.48 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.307 2.004 . . . . 0.0 112.167 174.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 61.6 mt -65.31 -20.05 66.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 8.9 mt-30 -84.94 -28.48 25.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.034 0.445 . . . . 0.0 110.655 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -93.25 -24.59 18.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.294 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.81 -23.2 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.084 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.516 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 59.0 m95 -66.57 156.13 35.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 0.0 110.419 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -125.72 157.68 36.76 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.5 ttt180 -146.83 118.47 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.637 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.25 141.96 47.65 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.871 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.92 122.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.103 0.478 . . . . 0.0 110.196 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.15 118.9 37.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.219 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.4 mt -112.03 123.3 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -131.16 145.58 52.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.895 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 49.6 tptt -75.58 120.71 21.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.52 169.31 25.92 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.568 -172.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.6 t -68.06 -22.56 64.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.168 0.509 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -105.67 -51.44 3.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.6 -169.8 3.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.412 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 48.5 m95 -83.35 124.55 30.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -125.16 160.42 29.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.663 0.744 . . . . 0.0 111.803 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.43 151.44 23.69 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.433 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.1 147.92 39.31 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.514 0.674 . . . . 0.0 110.67 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.467 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -109.11 126.45 53.21 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.212 -177.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -109.24 147.84 31.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.614 0.721 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.655 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.2 m-85 -131.75 154.92 48.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.136 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -136.09 132.0 35.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.88 131.69 21.19 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.315 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.93 -6.87 19.78 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.758 2.305 . . . . 0.0 112.424 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 29.8 m -136.61 4.16 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.323 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -160.22 -142.54 3.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.046 -171.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -73.25 -177.69 2.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.279 -0.461 . . . . 0.0 110.854 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.424 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -124.15 143.72 50.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.329 0.585 . . . . 0.0 110.567 177.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.45 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.6 mpp? -128.35 148.82 50.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.998 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.34 12.27 3.02 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 176.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -119.0 144.79 46.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.572 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.736 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.4 t80 -57.47 -50.25 89.24 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.514 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.6 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 30.4 Cg_endo -62.55 -17.16 56.84 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.505 2.137 . . . . 0.0 112.741 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -85.53 -26.24 26.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.249 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 56.0 t -78.35 -43.37 26.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.736 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.9 mm -57.76 -33.65 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 111.378 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 16.3 ptpt -74.79 -36.98 62.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.01 -41.83 99.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.0 mt -68.37 -36.84 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.057 -178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 47.8 m -72.53 -43.4 63.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.147 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.58 -27.89 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.856 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -114.73 -177.06 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.127 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 77.2 t -107.4 117.74 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.01 0.433 . . . . 0.0 111.022 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.71 138.24 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.89 -32.72 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.731 0.3 . . . . 0.0 111.497 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 35.5 p -69.87 -41.29 75.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.5 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.74 133.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.958 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 579' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 579' ' ' ARG . 17.6 mmm180 -114.0 176.52 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.9 -31.68 41.13 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.711 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.47 -26.33 67.82 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 43.8 m80 -79.25 -11.4 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.418 0.628 . . . . 0.0 110.804 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.563 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 58.6 m-85 -105.74 127.33 53.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.465 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.8 t -135.09 133.1 38.93 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.32 -4.3 20.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.817 0.341 . . . . 0.0 111.577 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 23.2 m -61.45 118.24 35.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.7 173.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.07 10.08 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.881 2.387 . . . . 0.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 618' ' ' ILE . 60.7 mtm180 -99.13 2.06 45.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.749 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.1 tpp -95.37 102.72 10.35 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.131 175.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 614' ' ' ILE . 78.4 Cg_endo -81.25 69.3 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.771 2.314 . . . . 0.0 112.618 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.749 HG23 ' HG3' ' A' ' 589' ' ' MET . 73.7 t -106.45 -70.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.14 -106.05 1.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 119.534 -1.317 . . . . 0.0 112.547 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -111.03 138.43 47.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.296 0.57 . . . . 0.0 110.803 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.0 m-85 -122.07 132.47 54.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.275 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.71 154.71 47.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.597 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -131.18 127.76 38.62 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.73 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -75.48 124.02 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -132.61 158.14 42.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.08 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.8 136.43 37.35 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.36 0.6 . . . . 0.0 110.811 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.0 p -130.13 164.0 43.8 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.328 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.9 Cg_endo -61.05 -12.79 24.29 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.829 2.353 . . . . 0.0 112.779 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.2 pt-20 -100.06 -17.61 17.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.004 0.43 . . . . 0.0 110.402 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.58 -168.68 24.88 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.164 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.49 123.43 29.72 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -138.58 150.97 46.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.098 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -88.99 110.64 21.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.63 126.47 45.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -74.26 135.33 42.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.048 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.68 144.05 25.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.3 m -80.19 164.16 23.49 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.11 -32.31 46.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.209 0.318 . . . . 0.0 111.655 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.89 -31.95 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.374 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.42 ' HB3' ' NH1' ' A' ' 617' ' ' ARG . 31.9 mm-40 -82.05 -27.05 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.5 mt -46.46 -58.78 6.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 28.9 Cg_endo -62.24 -28.48 79.24 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.553 2.169 . . . . 0.0 112.692 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.7 m -67.36 -39.22 85.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.0 0.429 . . . . 0.0 110.373 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 617' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 613' ' ' GLU . 9.1 mpt_? -72.45 -38.51 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.52 HG23 ' HG2' ' A' ' 588' ' ' ARG . 58.2 mt -56.83 -38.88 61.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.48 -34.44 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.04 -44.71 37.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.0 111.025 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.567 -176.464 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -103.31 146.28 32.17 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.398 172.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.39 -43.59 56.18 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.537 2.158 . . . . 0.0 112.14 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.44 -43.3 71.49 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.411 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 13.2 mm-40 -72.02 -33.09 67.77 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.712 177.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 591' ' ' VAL . 72.2 t -71.55 -31.78 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -80.79 -15.43 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.311 175.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.53 -49.04 80.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 122.406 0.282 . . . . 0.0 111.378 178.396 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.558 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -56.43 -37.72 96.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.378 2.052 . . . . 0.0 112.422 175.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.9 mt -64.16 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 530' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 12.2 mt-30 -77.61 -20.63 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -101.18 -26.14 13.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.79 -29.09 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.71 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 57.8 m95 -61.62 159.38 13.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -128.63 159.04 36.83 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.743 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.3 tmt_? -146.33 117.73 7.95 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.191 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -118.57 140.9 49.16 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.456 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.32 122.19 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.07 0.462 . . . . 0.0 110.027 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -104.42 120.35 41.03 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.89 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.5 mt -115.1 123.69 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 121.421 0.629 . . . . 0.0 110.944 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -131.44 149.26 52.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.17 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 28.4 tptp -74.91 121.68 22.25 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.78 166.85 23.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.974 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.5 m -70.29 -19.71 63.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.136 0.493 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.78 -50.07 3.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.544 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -153.11 -174.95 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.284 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' TRP . . . . . 0.465 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 40.6 m95 -84.29 124.63 31.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.97 147.2 50.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.968 0.89 . . . . 0.0 112.056 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -133.96 151.18 20.15 Favored Glycine 0 N--CA 1.439 -1.144 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.397 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.59 148.33 40.78 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.571 0.7 . . . . 0.0 110.43 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.0 m -105.92 125.96 51.62 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.893 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -109.68 147.8 32.49 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.7 0.762 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.743 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 17.8 m-85 -130.68 151.73 50.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.832 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -134.63 128.81 33.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.94 133.84 25.03 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.523 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.69 -6.42 18.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.48 2.12 . . . . 0.0 112.381 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.76 6.71 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.298 -176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.77 -143.2 3.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.949 -1.12 . . . . 0.0 113.333 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 558' ' ' LYS . . . . . 0.43 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.2 OUTLIER -79.56 -175.93 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.41 -0.395 . . . . 0.0 111.228 -176.303 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.445 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -115.62 138.75 50.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.222 0.534 . . . . 0.0 110.252 177.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 560' ' ' MET . . . . . 0.475 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -124.15 144.62 49.8 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.08 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -139.77 10.26 2.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.777 0.798 . . . . 0.0 110.393 177.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.465 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.6 mm100 -119.15 145.51 45.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.384 173.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.7 t80 -53.42 -49.37 88.74 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.363 176.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.2 Cg_endo -64.56 -14.54 45.03 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.463 2.109 . . . . 0.0 113.026 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 51.4 mt-10 -83.54 -28.9 28.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.113 0.482 . . . . 0.0 111.281 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.51 -42.62 26.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.991 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -59.57 -33.04 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.7 ptpt -74.22 -38.15 63.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.028 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.09 -42.23 97.01 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.6 mt -64.66 -36.04 82.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.875 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.5 t -73.94 -43.77 57.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.68 -20.73 60.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.791 -175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.65 175.22 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.95 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.14 116.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.3 117.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.546 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -115.65 -28.28 6.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 111.076 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.6 m -70.24 -40.84 74.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.264 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 528' ' ' PRO . 10.1 m -121.69 135.46 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.383 0.611 . . . . 0.0 112.132 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -114.14 175.94 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.36 -32.19 48.07 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.46 -23.64 66.0 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.9 m80 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.332 0.587 . . . . 0.0 110.602 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.591 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 62.8 m-85 -107.0 127.22 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.79 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 35.0 t -135.78 133.37 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -105.55 -5.5 20.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 49.9 m -61.67 119.55 48.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 621' ' ' ILE . 92.2 Cg_endo -75.14 10.68 1.68 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.062 2.508 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -100.37 2.34 42.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.684 0.754 . . . . 0.0 109.213 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.722 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.9 tpp -95.81 104.79 17.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.074 176.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.4 Cg_endo -81.68 66.67 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.076 2.517 . . . . 0.0 112.678 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 589' ' ' MET . 68.0 t -104.97 -72.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.22 -104.05 0.85 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.572 -1.299 . . . . 0.0 112.289 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.98 138.82 52.54 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.304 0.573 . . . . 0.0 110.565 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.9 132.45 54.97 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.276 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.25 153.84 48.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 110.528 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -133.0 126.4 31.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.24 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.82 123.91 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.128 0.49 . . . . 0.0 110.08 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -132.28 156.63 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.431 -173.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.02 133.92 44.8 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.318 0.58 . . . . 0.0 111.02 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.572 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.2 p -128.3 164.65 36.23 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.393 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 27.3 Cg_endo -61.81 -10.77 18.24 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.742 2.295 . . . . 0.0 112.729 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.572 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.4 pt-20 -101.75 -17.16 16.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 110.263 176.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.88 -166.11 25.74 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.625 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.9 mt -85.8 122.21 29.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.403 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.8 pt20 -136.57 150.09 48.42 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.252 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -87.61 110.54 20.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.25 126.81 45.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.3 0.571 . . . . 0.0 110.618 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.81 135.46 43.47 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.418 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.26 144.25 27.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.555 ' O ' HG13 ' A' ' 614' ' ' ILE . 18.0 p -78.95 168.37 19.79 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.22 -34.43 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.75 -28.95 50.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.322 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.96 -28.91 43.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.983 0.42 . . . . 0.0 110.567 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.7 mt -47.46 -58.4 7.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.305 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.499 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.6 Cg_endo -60.57 -31.22 92.02 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.746 2.298 . . . . 0.0 113.015 -175.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.2 t -66.38 -39.01 88.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -72.64 -39.23 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.931 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.5 mt -56.71 -38.43 57.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.2 mm-40 -60.23 -35.35 75.26 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.13 -44.6 46.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.078 0.466 . . . . 0.0 111.201 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.409 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.2 pt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.344 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 521' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -102.52 145.35 30.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.261 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 -43.28 58.57 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.65 2.233 . . . . 0.0 112.48 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.53 -40.59 75.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.499 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.3 mm-40 -72.04 -33.31 67.89 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.381 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' VAL . . . . . 0.602 ' HB ' HG21 ' A' ' 591' ' ' VAL . 80.0 t -72.91 -30.21 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 526' ' ' ARG . . . . . 0.521 ' HB3' HG13 ' A' ' 591' ' ' VAL . 13.2 ptp180 -82.08 -16.95 48.28 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.29 -0.257 . . . . 0.0 110.972 175.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.06 -53.95 33.41 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.605 0.362 . . . . 0.0 111.682 178.191 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 528' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.1 Cg_endo -60.28 -30.04 90.25 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.373 2.049 . . . . 0.0 112.602 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 38.9 mt -65.53 -21.28 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.347 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.3 -7.1 54.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -127.75 56.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 85.02 -47.88 3.94 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.881 . . . . 0.0 114.023 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' TRP . . . . . 0.477 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 75.0 m95 -58.9 156.44 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.0 111.866 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -131.32 160.92 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.753 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.1 tmt_? -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.466 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.71 141.05 48.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.622 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 66.1 t -117.9 123.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.193 0.52 . . . . 0.0 110.271 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -105.03 118.86 37.61 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.541 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 50.1 mt -110.07 123.47 66.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.27 0.557 . . . . 0.0 110.223 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.85 144.39 51.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.578 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -71.27 123.61 22.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -92.98 166.87 28.96 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.684 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.1 m -69.41 -24.7 63.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 110.677 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -109.01 -48.26 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -147.87 -172.1 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.445 0.641 . . . . 0.0 111.437 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -85.68 125.36 33.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.841 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.14 159.76 33.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.389 0.614 . . . . 0.0 111.716 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -143.76 151.97 23.79 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.208 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.473 0.654 . . . . 0.0 110.151 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 44.2 m -108.49 125.68 52.07 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.881 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -109.34 148.01 31.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.787 0.803 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' TYR . . . . . 0.753 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 15.5 m-85 -130.74 153.51 48.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.333 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -135.56 129.9 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.363 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.3 130.83 24.29 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.76 -7.2 20.39 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.653 2.235 . . . . 0.0 112.595 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 73.8 m -139.23 6.57 2.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.956 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.4 -142.62 3.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.802 -1.189 . . . . 0.0 113.174 -170.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -176.4 5.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.153 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.32 54.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.303 0.573 . . . . 0.0 110.673 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -123.4 147.26 47.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 8.16 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.587 0.708 . . . . 0.0 109.396 175.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -120.36 145.7 46.89 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.857 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.1 t80 -56.18 -50.71 85.94 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.06 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 45.6 Cg_endo -66.34 -12.12 34.3 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.196 1.931 . . . . 0.0 112.365 -178.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -87.13 -26.57 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 111.361 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 49.0 t -77.89 -45.24 28.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.688 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.8 mm -58.15 -32.29 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.9 ptpt -74.05 -37.34 64.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.862 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.83 -40.68 97.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.415 . . . . 0.0 109.941 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.6 mt -66.52 -34.71 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.4 t -72.95 -43.65 62.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 52.0 mtp85 -73.68 -19.72 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 -175.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -121.93 -175.53 3.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.3 t -114.48 118.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.08 120.03 28.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -109.77 -34.79 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.465 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 37.5 m -71.44 -42.88 67.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 578' ' ' VAL . . . . . 0.441 HG11 ' CA ' ' A' ' 528' ' ' PRO . 13.4 m -121.41 138.33 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -113.15 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 580' ' ' ARG . . . . . 0.474 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.31 -32.15 55.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.5 -29.38 66.22 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 582' ' ' HIS . . . . . 0.517 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.1 m80 -76.02 -11.54 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.308 0.575 . . . . 0.0 110.957 -177.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 583' ' ' PHE . . . . . 0.459 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 44.1 m-85 -106.1 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.455 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 42.4 t -135.3 132.72 38.07 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' PHE . . . . . 0.416 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -103.18 -4.62 24.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.661 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 15.1 m -61.93 116.68 22.88 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.76 10.49 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.95 2.434 . . . . 0.0 112.204 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -100.82 3.14 41.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' MET . . . . . 0.771 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -100.11 101.31 13.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.055 174.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' PRO . . . . . 0.608 ' HB3' HG21 ' A' ' 614' ' ' ILE . 96.5 Cg_endo -79.45 74.14 5.69 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.753 2.302 . . . . 0.0 112.482 -177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.771 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.6 t -109.14 -69.29 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -91.25 -102.5 1.29 Allowed Glycine 0 CA--C 1.506 -0.511 0 C-N-CA 119.482 -1.342 . . . . 0.0 112.73 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 22.9 m-20 -111.3 135.61 51.59 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 594' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -122.36 131.52 53.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.989 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 595' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 16.7 m-85 -131.5 154.92 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 596' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 4.4 pt-20 -131.63 131.21 43.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.78 122.96 24.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -134.51 158.29 44.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.6 -173.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -96.33 139.95 31.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.184 0.516 . . . . 0.0 110.835 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' THR . . . . . 0.56 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.3 p -135.25 163.18 52.86 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.477 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.61 -11.36 19.96 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.027 2.484 . . . . 0.0 112.831 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.56 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.3 pt-20 -101.26 -16.89 16.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.604 175.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.47 -172.16 23.14 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.558 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.9 mt -78.69 119.35 21.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.408 0.623 . . . . 0.0 110.712 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.2 pt20 -136.0 150.76 49.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.876 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -89.36 111.11 21.87 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.9 t -92.64 130.28 41.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.163 0.506 . . . . 0.0 110.23 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -73.74 135.14 43.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.747 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 56.2 mt -94.18 142.31 27.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' SER . . . . . 0.528 ' O ' HG13 ' A' ' 614' ' ' ILE . 8.8 p -78.98 166.75 22.01 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.89 -35.52 45.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.48 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.98 -29.2 55.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.471 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 39.7 mt-10 -78.32 -32.64 49.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.484 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 614' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 590' ' ' PRO . 52.5 mt -46.9 -58.37 7.16 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.107 -0.952 . . . . 0.0 113.161 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 22.6 Cg_endo -61.08 -29.46 87.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.573 2.182 . . . . 0.0 112.695 -176.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 36.9 t -65.98 -40.12 90.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.15 -39.31 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.539 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 614' ' ' ILE . 60.4 mt -56.67 -42.29 76.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.1 mm-40 -56.27 -33.89 65.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.03 -42.28 21.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.934 0.397 . . . . 0.0 110.747 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 621' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 618' ' ' ILE . 34.6 pt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.448 0.642 . . . . 0.0 109.885 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.782 0.325 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.9 -31.59 66.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.635 0.731 . . . . 0.0 110.031 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -121.59 118.52 29.43 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.204 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.05 134.34 29.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -104.56 149.32 25.6 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.071 0.462 . . . . 0.0 111.052 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.478 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.6 OUTLIER -98.4 153.69 37.91 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.114 174.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.96 -40.74 75.1 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.484 2.123 . . . . 0.0 111.538 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.0 pt-20 -59.32 -39.53 83.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.609 178.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -71.15 -33.49 70.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.252 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.747 ' HB ' HG21 ' A' ' 591' ' ' VAL . 83.8 t -74.98 -30.05 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 7.9 ptm180 -79.95 -15.61 56.92 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.215 -0.303 . . . . 0.0 110.843 174.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.95 -50.3 69.38 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 122.565 0.346 . . . . 0.0 111.081 176.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.7 Cg_exo -55.61 -38.97 93.63 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.468 2.112 . . . . 0.0 112.256 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 59.4 mt -65.67 -25.83 67.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.47 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 15.5 mt-30 -77.79 -24.48 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.636 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -101.12 -25.58 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.09 -24.61 0.61 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 119.756 -1.212 . . . . 0.0 113.31 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 52.2 m95 -68.61 159.45 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.688 0.28 . . . . 0.0 110.366 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -133.96 157.05 47.02 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.533 ' CZ ' ' H ' ' A' ' 592' ' ' GLY . 0.0 OUTLIER -147.21 121.75 9.76 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 121.452 0.644 . . . . 0.0 111.184 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -115.46 142.56 46.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.251 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.487 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 91.5 t -117.6 123.28 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.335 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.41 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 22.6 mmt180 -102.39 120.07 39.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.023 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 621' ' ' ILE . 43.0 mt -113.63 122.76 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.454 0.645 . . . . 0.0 110.427 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -128.92 146.06 51.05 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.78 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.521 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -78.43 125.0 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.224 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.23 168.48 28.45 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.539 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -71.54 -22.56 61.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 110.272 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -108.62 -52.56 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -139.78 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.067 -168.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.9 m95 -83.0 125.0 30.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.262 173.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.81 161.23 29.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.602 0.715 . . . . 0.0 111.959 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -155.33 151.35 22.94 Favored Glycine 0 N--CA 1.439 -1.123 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.95 149.91 45.29 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.778 0.799 . . . . 0.0 111.082 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.534 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 76.3 m -106.51 126.67 52.55 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.734 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -108.97 149.25 29.49 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.0 152.01 51.39 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.717 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -134.56 129.16 34.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.351 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.85 131.13 25.64 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.479 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.46 -7.24 20.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.541 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 38.3 t -140.63 5.78 2.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.582 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.47 -146.0 4.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.282 -170.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -175.87 3.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.149 -0.526 . . . . 0.0 111.164 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.12 142.21 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.21 0.529 . . . . 0.0 110.714 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.522 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.5 mpp? -127.04 147.62 50.14 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.966 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 6.38 2.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.575 0.702 . . . . 0.0 110.014 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.0 mm100 -113.75 145.68 41.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.9 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -57.29 -49.22 95.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.327 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 38.0 Cg_endo -64.47 -13.92 41.3 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.387 2.058 . . . . 0.0 112.678 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.522 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 37.1 mt-10 -83.48 -28.14 28.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 111.18 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.558 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 60.0 t -79.02 -44.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.637 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.693 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.92 -33.64 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.208 0.528 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -73.83 -37.42 64.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.722 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -62.47 -41.76 99.01 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.9 mt -66.89 -38.11 85.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.354 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -72.05 -29.85 64.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.309 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -86.93 -36.01 18.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.637 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -108.53 169.98 8.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.98 116.81 33.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.998 0.428 . . . . 0.0 109.998 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.53 127.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -128.3 -22.43 3.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.338 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 23.8 p -73.43 -44.28 58.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 111.077 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.46 136.3 59.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.161 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -113.93 176.92 4.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -53.48 -32.04 48.43 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.99 -29.7 69.84 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 46.6 m80 -73.73 -10.94 60.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.682 0.753 . . . . 0.0 110.503 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 61.9 m-85 -107.89 125.44 51.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.592 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 31.0 m -136.75 132.88 35.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.534 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.5 m-85 -103.23 0.87 32.21 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.69 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 35.2 m -61.14 119.69 47.91 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 173.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' PRO . . . . . 0.515 ' HB2' HD12 ' A' ' 621' ' ' ILE . 96.7 Cg_endo -74.2 10.17 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.688 2.259 . . . . 0.0 112.125 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 58.1 mtm180 -99.14 1.59 45.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.736 ' HG3' HG23 ' A' ' 591' ' ' VAL . 59.0 tpp -92.98 105.04 13.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 84.1 Cg_endo -82.3 60.76 7.49 Favored 'Trans proline' 0 N--CA 1.466 -0.118 0 C-N-CA 123.315 2.677 . . . . 0.0 113.043 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.747 HG21 ' HB ' ' A' ' 525' ' ' VAL . 80.9 t -101.77 -71.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' GLY . . . . . 0.533 ' H ' ' CZ ' ' A' ' 535' ' ' ARG . . . -92.4 -115.9 2.25 Favored Glycine 0 CA--C 1.504 -0.65 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.051 -174.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.25 139.21 39.0 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.444 0.64 . . . . 0.0 111.258 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 132.53 55.24 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.014 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.06 153.61 48.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.702 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -131.9 125.3 31.35 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.81 123.87 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.239 0.543 . . . . 0.0 109.839 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -134.98 157.32 47.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.417 -173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -100.23 136.87 39.46 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.551 0.691 . . . . 0.0 110.974 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.57 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.1 p -131.0 164.66 40.63 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.149 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.57 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.32 -11.45 19.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.63 2.22 . . . . 0.0 112.769 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.522 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.0 pt-20 -99.87 -17.89 17.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.496 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.74 -170.27 24.04 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.768 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.8 mt -80.74 120.93 25.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.23 0.538 . . . . 0.0 110.11 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.479 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.2 pt20 -135.43 149.31 49.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.67 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.4 m95 -87.52 110.79 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.39 128.6 44.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.459 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.51 135.61 42.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.458 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 32.5 mt -96.18 141.22 29.8 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 10.3 p -78.34 165.93 23.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.29 -35.67 38.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 122.597 0.359 . . . . 0.0 111.141 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.03 -32.61 69.41 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.48 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 42.0 mt-10 -81.07 -28.91 35.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.906 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.5 mt -47.58 -58.87 6.56 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 30.3 Cg_endo -63.33 -27.38 71.55 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.396 2.064 . . . . 0.0 112.614 -175.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.5 m -67.93 -40.65 83.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 110.113 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.406 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.4 mpt_? -72.22 -39.07 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.809 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.497 ' O ' ' HB ' ' A' ' 622' ' ' THR . 61.5 mt -56.23 -38.01 52.54 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.873 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 34.4 mm-40 -59.49 -34.85 73.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.07 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.24 27.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.4 pt -86.62 -1.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.322 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 3.7 t -61.17 145.36 51.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.188 0.518 . . . . 0.0 111.029 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -164.71 104.1 0.22 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.85 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.738 177.88 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.77 124.26 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.334 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -112.44 115.48 28.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 5.3 mt -92.35 146.11 6.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.865 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -98.36 151.47 20.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.346 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.4 OUTLIER -99.06 146.32 31.5 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.43 -41.98 63.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.71 -39.05 79.66 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.542 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.42 -32.84 66.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.624 ' HB ' HG21 ' A' ' 591' ' ' VAL . 75.7 t -72.79 -31.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 37.8 ptt180 -80.83 -15.95 55.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.718 175.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.44 -49.22 83.56 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 122.621 0.369 . . . . 0.0 111.212 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.525 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.2 Cg_exo -55.52 -38.62 93.88 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.246 1.964 . . . . 0.0 111.993 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 26.4 mt -66.07 -23.1 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.245 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 25.0 mt-30 -87.3 -9.91 53.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -108.74 -25.96 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.42 -22.89 1.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.006 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 45.9 m95 -67.23 161.41 24.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.634 0.254 . . . . 0.0 110.335 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.77 160.3 31.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.624 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.92 119.1 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.477 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -113.47 142.54 45.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.148 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.9 116.15 51.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -104.67 118.27 36.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.913 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 42.1 mt -112.25 123.24 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.45 0.643 . . . . 0.0 110.555 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -129.18 149.43 50.99 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.804 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.49 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -72.88 129.37 38.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -99.49 167.89 21.47 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.772 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.9 m -71.97 -15.76 62.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.1 -57.01 2.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -144.21 -169.68 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.149 0.499 . . . . 0.0 110.892 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.49 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 38.7 m95 -86.5 123.99 32.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.418 172.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -126.6 151.07 48.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.671 0.748 . . . . 0.0 112.098 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.18 21.62 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.896 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -137.93 148.21 45.07 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.279 0.561 . . . . 0.0 110.205 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.2 m -105.9 125.6 51.19 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.819 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -108.47 146.36 33.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.65 0.738 . . . . 0.0 110.297 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.624 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.6 m-85 -129.29 150.02 50.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.206 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -134.4 132.32 39.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -64.63 141.21 43.68 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.323 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -52.3 -29.91 40.36 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.131 2.554 . . . . 0.0 113.554 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 16.0 p -141.14 -22.77 0.76 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.635 0.255 . . . . 0.0 111.365 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -82.88 -147.53 7.0 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.731 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -79.58 -179.48 6.88 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.418 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.28 140.37 49.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.367 0.603 . . . . 0.0 110.828 -178.304 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -126.47 145.2 50.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.461 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 13.62 2.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.685 0.755 . . . . 0.0 109.992 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.1 mm100 -123.7 145.28 49.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.584 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.3 t80 -56.8 -50.49 87.71 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.553 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 39.0 Cg_endo -64.89 -15.07 48.54 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.246 1.964 . . . . 0.0 112.794 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 24.2 mm-40 -85.65 -26.6 25.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.205 0.526 . . . . 0.0 111.07 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.2 t -78.56 -42.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.2 mm -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 121.111 0.482 . . . . 0.0 111.398 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.6 ptpt -74.01 -37.18 64.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.206 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.15 -45.12 94.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.112 0.482 . . . . 0.0 109.863 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.1 mt -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.632 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 15.8 t -73.43 -34.53 65.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.911 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.9 mtp180 -83.82 -39.13 20.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.533 -176.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -105.61 168.56 9.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.79 115.87 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.011 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.5 t -146.48 104.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.813 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -113.86 -19.18 11.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.649 0.261 . . . . 0.0 111.456 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 20.1 m -69.25 -41.77 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.164 0.507 . . . . 0.0 110.211 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 528' ' ' PRO . 12.2 m -121.82 134.86 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.562 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -113.52 175.58 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.34 -31.87 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.166 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.06 -29.17 70.11 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.8 m80 -74.1 -11.78 60.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.516 0.674 . . . . 0.0 110.765 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.574 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 63.6 m-85 -106.17 127.19 53.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.242 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -134.97 132.93 38.97 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.2 m-85 -105.1 -4.7 21.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 111.621 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 50.3 m -61.86 117.34 27.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -75.1 11.27 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.645 2.23 . . . . 0.0 112.478 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -95.51 -0.38 52.24 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.746 ' HG3' HG23 ' A' ' 591' ' ' VAL . 60.4 tpp -97.49 104.2 19.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.322 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.3 Cg_endo -82.16 71.41 6.64 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.907 2.404 . . . . 0.0 112.558 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.746 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.4 t -106.98 -72.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.75 -101.65 0.63 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 119.747 -1.216 . . . . 0.0 112.886 -170.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.91 139.05 53.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.093 0.473 . . . . 0.0 110.156 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.7 m-85 -121.53 132.18 54.55 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.236 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -130.78 153.77 48.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.469 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 15.3 tt0 -131.47 127.2 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.97 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.53 124.36 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -133.62 157.92 44.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.358 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -99.51 136.85 38.84 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.478 0.656 . . . . 0.0 111.021 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.4 p -131.27 164.57 41.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.29 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.6 Cg_endo -61.82 -11.12 19.53 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.776 2.317 . . . . 0.0 112.768 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.53 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -102.33 -16.77 16.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.964 0.411 . . . . 0.0 110.287 175.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.52 -166.16 25.62 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.685 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.9 mt -84.64 119.32 25.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.31 0.576 . . . . 0.0 110.396 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.507 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.3 pt20 -133.69 146.92 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.77 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -89.21 110.35 21.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 31.5 t -92.7 127.58 44.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.107 0.48 . . . . 0.0 110.288 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.83 134.58 43.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.848 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 28.9 mt -95.99 142.02 28.71 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -77.91 165.89 23.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.28 -34.98 48.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.035 0.209 . . . . 0.0 111.482 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.49 -28.72 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.53 -28.97 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 611' ' ' ALA . 48.3 mt -47.95 -58.6 7.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.927 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.484 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.83 -28.97 82.12 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.433 2.089 . . . . 0.0 112.606 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -39.68 89.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.308 0.575 . . . . 0.0 109.762 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.93 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.909 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.569 ' O ' ' HB ' ' A' ' 622' ' ' THR . 55.5 mt -56.45 -38.1 54.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.555 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 92.9 mm-40 -61.72 -33.97 74.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.89 53.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.7 pt -84.18 -5.56 9.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.371 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.0 t -69.08 151.81 45.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.072 0.463 . . . . 0.0 110.669 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -161.28 109.07 0.38 Allowed Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.59 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.74 -179.636 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.717 0.294 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -86.42 157.92 19.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.643 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -79.39 109.44 13.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.6 mt -106.45 137.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.916 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -111.44 150.0 30.48 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.251 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.31 146.84 33.36 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.049 175.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.33 -42.66 66.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.841 2.36 . . . . 0.0 112.316 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.14 -41.8 72.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.5 mm-40 -71.7 -34.49 69.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.503 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.61 ' HB ' HG21 ' A' ' 591' ' ' VAL . 86.2 t -70.85 -31.33 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.4 ptp180 -81.55 -15.45 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.271 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -50.64 -49.8 76.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 122.366 0.267 . . . . 0.0 111.287 178.471 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.538 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.8 Cg_exo -56.84 -37.13 98.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.405 2.07 . . . . 0.0 112.427 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -64.1 -27.88 69.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.115 0.483 . . . . 0.0 110.545 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 10.4 mt-30 -77.76 -24.36 49.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.585 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -99.64 -23.98 14.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.61 -22.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 119.733 -1.222 . . . . 0.0 112.831 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 63.8 m95 -66.67 158.87 28.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -129.52 160.88 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.676 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.8 ttt180 -144.96 118.43 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.991 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -118.09 141.02 48.92 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.255 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.1 t -117.28 123.37 71.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.247 0.546 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.425 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 71.3 mtt180 -103.09 121.59 42.93 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.125 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.55 122.92 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 121.533 0.683 . . . . 0.0 110.247 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.57 144.76 51.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.812 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.4 tptm -75.01 127.51 33.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.057 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.38 168.48 17.64 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.914 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -29.71 68.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.091 0.472 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -98.69 -46.49 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -153.42 -174.57 4.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.358 0.599 . . . . 0.0 111.274 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.444 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.1 m95 -86.46 124.81 33.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.083 172.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -127.64 158.76 36.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.689 0.757 . . . . 0.0 111.894 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.28 151.4 23.65 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.939 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -136.93 146.56 45.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.504 0.669 . . . . 0.0 110.486 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.6 m -109.15 125.71 52.47 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.185 -177.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -108.71 148.15 30.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.737 0.779 . . . . 0.0 110.579 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.676 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 17.4 m-85 -131.42 153.81 49.31 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.177 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.47 129.46 33.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.488 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.33 134.41 31.03 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.838 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.65 -7.29 20.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.895 2.396 . . . . 0.0 112.673 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.48 3.52 2.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.369 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.18 -141.93 3.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.773 -1.204 . . . . 0.0 113.021 -167.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -176.45 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.506 . . . . 0.0 111.039 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.461 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -120.26 142.51 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.161 0.505 . . . . 0.0 110.516 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.789 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 12.87 3.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.834 0.826 . . . . 0.0 109.553 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -127.98 145.78 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.689 -1.142 . . . . 0.0 109.76 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.767 ' CE1' HD11 ' A' ' 567' ' ' ILE . 30.3 t80 -55.7 -49.94 89.88 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.993 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.627 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 32.8 Cg_endo -64.0 -15.99 52.33 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.176 1.918 . . . . 0.0 112.289 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -86.05 -26.95 25.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.215 0.531 . . . . 0.0 111.003 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.589 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 50.5 t -77.41 -46.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.0 mm -57.25 -33.0 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.022 0.439 . . . . 0.0 111.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.5 ptpt -74.4 -37.12 63.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.774 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -64.47 -40.82 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.5 mt -66.8 -35.21 79.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.325 0.583 . . . . 0.0 110.08 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 44.9 m -73.5 -44.07 58.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.415 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -81.02 -41.12 23.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.814 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -97.22 177.36 5.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.94 118.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.863 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.9 129.17 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.582 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -125.33 -26.06 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 38.4 m -78.25 -39.11 41.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.127 0.489 . . . . 0.0 111.699 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.77 139.75 47.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.932 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -112.93 175.2 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.5 -32.4 39.94 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.571 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.12 -28.53 67.94 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.4 m80 -75.77 -11.53 60.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.646 . . . . 0.0 110.866 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.569 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 57.7 m-85 -106.35 125.97 51.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.373 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 38.2 t -135.43 133.23 38.41 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.41 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.9 m-85 -104.54 -2.85 24.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.877 0.37 . . . . 0.0 111.477 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.4 m -61.15 116.82 21.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.047 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.96 9.93 2.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.973 2.449 . . . . 0.0 112.182 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 81.7 mtp180 -97.41 0.87 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.71 ' HG3' HG23 ' A' ' 591' ' ' VAL . 52.7 tpp -97.15 101.77 10.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.253 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 614' ' ' ILE . 72.1 Cg_endo -80.51 74.51 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.597 2.198 . . . . 0.0 112.144 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.71 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.3 t -109.74 -72.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.84 -98.16 0.67 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 119.551 -1.309 . . . . 0.0 112.721 -171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -125.82 140.12 52.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.473 0.654 . . . . 0.0 111.137 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 614' ' ' ILE . 13.9 m-85 -121.83 131.97 54.34 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.212 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -129.36 152.89 48.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -130.13 125.25 34.62 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.81 120.81 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -133.74 158.09 44.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.122 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -100.73 133.35 45.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.529 0.681 . . . . 0.0 110.821 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.3 p -128.13 164.73 35.4 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.146 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 28.0 Cg_endo -62.69 -12.6 29.38 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.585 2.19 . . . . 0.0 112.93 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.575 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.52 -17.43 19.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 173.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.44 -163.31 25.45 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 119.898 -1.144 . . . . 0.0 113.869 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 62.4 mt -87.5 117.49 26.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.333 0.587 . . . . 0.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.9 pt20 -135.3 153.34 51.91 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.365 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 59.6 m95 -87.43 110.64 20.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.5 127.33 44.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.279 0.561 . . . . 0.0 110.437 -176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.12 135.12 44.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.944 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 41.7 mt -95.56 143.62 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.408 ' O ' HG13 ' A' ' 614' ' ' ILE . 13.6 m -78.12 164.32 25.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.31 -34.76 48.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.82 -23.81 44.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.98 -31.55 39.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 110.355 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 611' ' ' ALA . 50.8 mt -47.73 -58.66 7.14 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.027 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.66 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.5 Cg_endo -60.89 -30.12 89.43 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.588 2.192 . . . . 0.0 112.73 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 40.3 t -65.17 -40.88 94.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.22 0.533 . . . . 0.0 109.851 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -71.63 -38.21 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.454 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 614' ' ' ILE . 59.2 mt -56.57 -38.0 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.94 176.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -62.13 -34.9 77.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.622 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.81 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.089 0.471 . . . . 0.0 110.842 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt -84.06 -1.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.02 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 4.1 t -60.58 -20.9 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 94.41 86.09 1.65 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.565 -0.826 . . . . 0.0 113.033 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.625 -0.703 . . . . 0.0 109.589 175.57 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -83.0 159.76 22.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.37 122.07 34.47 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.19 142.65 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.186 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -103.92 146.64 28.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.29 0.567 . . . . 0.0 111.178 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -98.42 149.23 35.53 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.254 174.354 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.56 -40.59 78.47 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.5 -39.6 84.36 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.718 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 24.1 mm-40 -72.72 -31.18 64.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 111.228 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.743 ' HB ' HG21 ' A' ' 591' ' ' VAL . 65.7 t -73.53 -31.15 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.296 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.8 ptp180 -81.54 -15.0 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.17 -0.332 . . . . 0.0 111.344 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.07 -52.93 43.42 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.699 0.4 . . . . 0.0 111.6 177.388 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.3 Cg_endo -61.49 -30.37 86.46 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.299 1.999 . . . . 0.0 112.559 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 62.9 mt -65.74 -27.15 68.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.47 . . . . 0.0 110.04 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 10.6 mt-30 -77.61 -23.6 49.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.452 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -96.83 -25.35 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.49 -25.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 119.765 -1.207 . . . . 0.0 113.138 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 57.5 m95 -64.33 158.22 24.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.667 0.233 . . . . 0.0 110.541 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -130.74 159.39 37.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.652 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.2 ttt180 -148.67 119.56 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.377 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -116.15 143.25 45.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.984 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 54.2 t -117.09 119.91 63.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.139 0.495 . . . . 0.0 109.8 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -103.25 118.47 36.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.997 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.35 123.13 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.445 0.64 . . . . 0.0 110.492 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.06 149.44 50.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.062 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.7 tptm -77.25 129.24 35.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 173.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -105.28 169.24 16.22 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.802 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -69.74 -24.21 63.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.918 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -95.18 -57.86 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.521 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -154.01 -169.28 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 111.173 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.0 m95 -84.62 125.14 32.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.502 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -127.42 160.81 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.503 0.668 . . . . 0.0 111.832 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.79 151.16 23.37 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.531 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.23 147.94 44.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.328 0.585 . . . . 0.0 110.429 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 57.2 m -107.63 125.94 51.96 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 -177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -109.72 148.12 31.97 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.53 0.681 . . . . 0.0 110.336 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.652 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.4 m-85 -129.7 150.78 50.87 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.396 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -134.48 131.63 38.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.26 46.79 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.67 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.06 -29.37 54.87 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.073 2.515 . . . . 0.0 112.316 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 5.5 p -143.86 -24.27 0.56 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -79.73 -152.21 7.23 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.912 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.478 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.74 -177.72 2.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.323 -0.438 . . . . 0.0 111.142 -176.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.91 139.08 51.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.177 0.513 . . . . 0.0 110.546 178.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.478 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.7 mpp? -126.44 147.17 49.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.572 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 8.76 3.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.68 0.752 . . . . 0.0 109.629 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.0 mm100 -119.2 144.74 46.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.493 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.5 t80 -59.16 -49.88 90.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.56 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.4 Cg_endo -63.4 -13.95 39.23 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.245 1.963 . . . . 0.0 112.474 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.519 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 14.6 mm-40 -89.42 -25.38 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.27 0.557 . . . . 0.0 110.846 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 43.6 t -77.74 -44.94 28.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.496 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -56.87 -32.23 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.547 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.0 OUTLIER -73.75 -38.3 64.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.039 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.96 -42.86 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.6 mt -68.5 -39.32 81.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.407 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.9 m -72.88 -38.0 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.893 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 76.8 mtp180 -75.9 -24.73 55.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.954 0.407 . . . . 0.0 111.079 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -117.37 -168.72 1.53 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.096 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 56.5 t -119.28 117.2 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 32.9 t -138.86 119.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -111.07 -33.68 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 49.7 m -68.36 -41.13 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.958 0.409 . . . . 0.0 111.096 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.447 HG11 ' CA ' ' A' ' 528' ' ' PRO . 11.6 m -121.61 136.01 59.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.371 0.605 . . . . 0.0 112.143 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.02 175.66 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.36 -31.89 55.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.237 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.53 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 41.6 m80 -74.2 -11.21 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.508 0.67 . . . . 0.0 110.688 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.419 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 40.4 m-85 -108.76 124.27 50.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.252 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.8 m -135.71 132.51 36.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.2 m-85 -101.75 -4.02 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.4 116.78 21.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.13 10.75 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.001 2.467 . . . . 0.0 112.745 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 70.6 mtt180 -96.06 -1.48 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.798 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.2 tpp -95.18 104.83 16.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.169 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 83.9 Cg_endo -82.18 67.47 8.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 123.123 2.549 . . . . 0.0 112.758 -176.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.798 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.5 t -104.81 -70.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.94 -99.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.474 -1.346 . . . . 0.0 112.483 -173.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -123.71 141.82 51.65 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.301 0.572 . . . . 0.0 110.867 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -121.99 132.27 54.44 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.122 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -130.39 155.17 46.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.975 0.417 . . . . 0.0 110.512 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -132.14 127.31 35.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.999 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -74.29 122.39 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -134.99 157.16 47.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.33 139.37 36.09 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.328 0.585 . . . . 0.0 110.777 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 24.2 p -133.35 164.84 41.13 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.442 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.557 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 18.8 Cg_endo -59.77 -13.9 24.38 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.918 2.412 . . . . 0.0 112.76 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.618 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.78 -19.14 18.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.842 0.353 . . . . 0.0 110.45 174.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.97 -165.46 25.38 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 119.878 -1.153 . . . . 0.0 113.719 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.83 118.32 23.33 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.575 0.702 . . . . 0.0 110.32 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.5 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.0 pt20 -134.25 148.46 50.83 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.682 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -88.5 110.17 20.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.99 126.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.0 110.604 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -73.31 134.53 44.2 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.829 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.7 mt -94.59 142.28 27.63 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.2 m -82.73 164.88 20.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.14 -32.73 36.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.63 -34.28 73.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.744 0.307 . . . . 0.0 111.296 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.0 -26.99 33.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.691 0.281 . . . . 0.0 111.164 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 611' ' ' ALA . 28.2 mt -46.88 -58.59 6.68 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.0 Cg_endo -60.56 -33.74 93.34 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.545 2.163 . . . . 0.0 112.562 -175.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.3 m -63.51 -40.33 96.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.09 -39.5 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 614' ' ' ILE . 54.5 mt -56.66 -40.9 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.82 -32.91 71.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.6 25.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.156 0.503 . . . . 0.0 110.781 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.06 -2.76 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.628 0.727 . . . . 0.0 110.124 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.51 145.95 31.58 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.299 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 115.53 -18.08 15.63 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.406 175.403 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.98 133.49 35.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.679 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -84.18 122.73 29.26 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.51 132.91 67.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.58 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -94.25 152.47 18.67 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.91 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.12 141.61 22.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.23 173.595 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -51.96 -43.38 52.59 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.31 -42.36 73.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.421 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -72.95 -31.51 64.63 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.449 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.515 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 96.9 t -69.47 -30.08 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.341 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.35 -14.68 52.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.642 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.54 -49.35 86.35 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.5 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 35.1 Cg_exo -58.41 -35.89 98.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.179 1.92 . . . . 0.0 112.187 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.4 mt -65.57 -21.53 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.686 -177.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 9.5 mt-30 -84.13 -20.44 32.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -102.51 -21.83 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 148.17 -25.49 1.41 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.915 -1.136 . . . . 0.0 112.703 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 65.6 m95 -61.97 157.21 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 534' ' ' ARG . 66.4 mtt180 -129.62 160.97 31.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.707 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 6.7 ttt180 -143.84 118.29 9.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.062 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -116.19 137.42 52.15 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.54 121.09 66.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.105 0.478 . . . . 0.0 109.81 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.529 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.67 118.35 36.35 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.231 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.0 mt -111.31 123.39 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.349 0.595 . . . . 0.0 110.153 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -130.03 144.41 51.32 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.967 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -81.65 126.83 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.409 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.59 168.03 19.28 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.115 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.8 t -72.16 -16.47 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.2 -49.36 3.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -151.91 177.4 10.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.504 0.669 . . . . 0.0 111.829 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 46.8 m95 -85.15 124.84 32.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.397 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.38 164.27 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.561 0.696 . . . . 0.0 111.327 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.27 22.98 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.604 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.44 148.29 44.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.767 0.794 . . . . 0.0 110.772 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 80.0 m -106.87 125.91 51.62 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.167 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 9.5 m95 -110.44 148.09 32.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.388 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.707 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -133.6 154.09 51.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.233 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.68 133.47 38.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -62.52 141.46 46.97 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.259 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.2 -29.15 55.31 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.13 2.553 . . . . 0.0 112.593 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.41 -24.89 0.59 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.843 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -80.05 -147.24 4.54 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.817 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.57 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -81.96 -177.47 6.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.207 0.527 . . . . 0.0 112.05 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.481 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 39.2 ttp180 -109.71 133.39 53.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.709 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.57 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.4 mpp? -126.9 144.92 50.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.227 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -138.32 11.98 2.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.815 0.817 . . . . 0.0 109.791 177.192 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.464 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.2 mm100 -118.46 145.52 45.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.219 175.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.2 t80 -57.75 -50.23 89.32 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.458 178.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.577 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 43.0 Cg_endo -65.6 -11.89 32.58 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.452 2.101 . . . . 0.0 112.597 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 59.0 mm-40 -88.05 -27.12 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.257 0.551 . . . . 0.0 111.133 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.3 t -77.93 -43.05 28.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.739 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -58.88 -32.43 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.19 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.577 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.84 -37.23 62.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.157 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.43 -43.51 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -63.11 -43.11 99.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 53.0 m -73.46 -39.17 65.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.25 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.88 -16.36 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.706 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -123.33 -173.22 2.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.93 118.19 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 110.45 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.7 t -137.98 138.18 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -129.4 -25.87 2.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 13.4 p -91.73 -40.99 10.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.174 0.511 . . . . 0.0 112.241 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.1 138.18 47.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -112.2 172.6 6.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.437 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.94 -31.93 60.85 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.189 0.45 . . . . 0.0 112.192 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.82 -23.12 67.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -77.28 -12.65 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.537 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.3 m-85 -107.47 124.42 49.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.057 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 47.1 t -130.95 132.62 45.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.0 m-85 -103.6 -3.23 25.47 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.363 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.45 113.99 9.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.657 171.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.65 10.6 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.652 2.235 . . . . 0.0 111.414 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.442 ' HG2' HG23 ' A' ' 618' ' ' ILE . 48.3 mtt180 -100.82 2.55 41.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.425 ' HG2' HG21 ' A' ' 525' ' ' VAL . 49.6 tpp -94.97 107.86 34.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.781 173.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.01 58.08 6.01 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.003 2.469 . . . . 0.0 112.76 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 42.9 t -137.13 140.92 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 101.8 -135.23 12.1 Favored Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -120.43 132.31 55.18 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.867 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -128.43 154.91 45.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.704 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.27 123.91 31.18 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.56 120.31 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -134.08 157.46 46.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.509 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.76 133.14 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.88 0.848 . . . . 0.0 111.095 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.1 p -126.34 164.84 31.5 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 22.4 Cg_endo -61.89 -12.83 27.56 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 122.395 2.063 . . . . 0.0 112.628 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.3 pt-20 -98.75 -15.25 19.39 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.57 175.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.13 -163.9 24.82 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.682 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.99 122.72 29.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.368 0.604 . . . . 0.0 110.497 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.511 ' CD ' HG21 ' A' ' 600' ' ' THR . 11.1 pt20 -138.03 151.44 47.88 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.638 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' TRP . . . . . 0.529 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.8 m95 -88.5 110.16 20.63 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.3 t -92.79 125.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.05 0.452 . . . . 0.0 110.073 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -74.38 135.46 42.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.063 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.1 144.25 27.14 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 614' ' ' ILE . 47.0 m -81.69 167.68 18.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.47 -31.46 62.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.094 0.247 . . . . 0.0 111.552 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -78.07 -25.35 47.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -82.18 -29.61 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.304 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 611' ' ' ALA . 38.9 mt -47.4 -58.78 6.64 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.074 -0.967 . . . . 0.0 112.978 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.4 Cg_endo -61.38 -31.74 88.77 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.552 2.168 . . . . 0.0 112.773 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.4 m -64.99 -40.69 95.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.5 -38.98 71.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.443 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.8 mt -56.75 -43.52 79.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.933 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.5 mm-40 -55.07 -33.97 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.79 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.976 0.417 . . . . 0.0 110.805 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.0 pt -82.0 -3.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.457 0.646 . . . . 0.0 110.64 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 0.9 OUTLIER -92.83 124.87 37.13 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.233 177.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -89.43 38.58 3.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.691 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.211 -0.899 . . . . 0.0 109.295 179.128 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.557 0.217 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -135.56 159.82 40.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.736 0.303 . . . . 0.0 110.672 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 3.4 tmm_? -88.63 110.54 21.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 174.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.8 mt -106.55 136.42 41.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.566 -173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -115.25 151.18 34.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.602 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.82 144.69 29.02 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.49 174.078 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.05 -42.92 62.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.751 2.301 . . . . 0.0 112.308 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.14 -41.7 72.1 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.1 mm-40 -72.98 -32.14 64.98 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.415 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.3 t -71.25 -31.54 44.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 ptm180 -80.77 -15.38 56.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.146 174.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.1 -49.61 74.41 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 122.426 0.29 . . . . 0.0 111.454 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 45.6 Cg_exo -57.35 -36.9 98.9 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.335 2.023 . . . . 0.0 112.26 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.34 -23.98 64.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 17.1 mt-30 -76.71 -25.16 53.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.721 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -94.66 -99.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.918 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.47 -20.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.492 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -70.73 160.38 32.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.437 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -129.83 159.73 35.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.693 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 4.6 ttt180 -145.46 119.79 9.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.268 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.04 116.16 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -107.19 118.82 37.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.349 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 617' ' ' ARG . 24.3 mt -110.61 124.24 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.0 110.447 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -129.33 142.82 50.72 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.562 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -70.32 126.16 28.86 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.99 165.31 25.4 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.1 m -71.11 -20.08 62.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.903 0.383 . . . . 0.0 110.524 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.88 -47.15 3.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -152.55 -173.36 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -83.84 125.06 31.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.549 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -128.54 155.77 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 0.0 112.008 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -145.45 151.87 24.01 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.107 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -140.73 148.88 41.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.845 0.831 . . . . 0.0 111.192 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.473 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.4 m -106.03 125.66 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.17 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -109.18 147.19 32.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.565 0.698 . . . . 0.0 110.566 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.693 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.7 m-85 -130.64 152.98 49.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.203 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -134.28 130.79 37.6 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.92 134.39 25.47 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.648 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.99 -11.08 27.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.937 2.425 . . . . 0.0 112.811 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 9.2 p -137.28 6.79 2.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.181 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.19 -141.25 3.15 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.115 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -81.03 -177.21 6.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.846 -0.677 . . . . 0.0 111.165 -175.629 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.31 135.8 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.401 0.62 . . . . 0.0 110.344 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -124.94 145.87 49.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.465 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -138.36 10.79 2.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.657 0.742 . . . . 0.0 110.119 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -118.13 144.67 45.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.009 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.7 t80 -57.29 -49.96 90.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.596 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.596 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 34.5 Cg_endo -63.78 -14.93 45.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.341 2.027 . . . . 0.0 112.512 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.08 -27.32 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.233 0.54 . . . . 0.0 111.019 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.5 t -78.21 -45.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.74 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.5 mm -57.42 -33.19 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 121.048 0.451 . . . . 0.0 111.766 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.596 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.1 ptpt -74.5 -38.24 62.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.653 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.92 -40.8 95.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.977 0.417 . . . . 0.0 109.876 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.4 mt -68.0 -40.81 82.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 56.1 m -72.14 -40.63 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.888 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 79.0 mtp180 -72.77 -25.65 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.942 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -117.57 -162.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.18 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.1 t -124.18 117.75 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.0 110.338 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.26 111.0 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.82 -31.32 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.233 -172.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -70.24 -44.29 68.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.037 0.446 . . . . 0.0 111.258 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.15 135.82 61.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.121 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.2 175.52 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.34 -31.94 55.6 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.483 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.41 ' HA ' ' NH1' ' A' ' 518' ' ' ARG . 10.5 pt-20 -60.53 -30.31 69.67 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 40.9 m80 -73.75 -11.61 60.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.294 0.568 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.539 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.9 m-85 -106.75 126.33 52.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.363 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.8 t -135.47 134.65 39.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.2 -5.12 19.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.7 m -63.95 120.22 61.96 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.764 0.316 . . . . 0.0 111.134 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.96 11.83 1.9 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.222 2.614 . . . . 0.0 112.187 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.26 2.72 34.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.8 tpp -97.34 102.82 13.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.669 172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 72.6 Cg_endo -79.44 72.49 6.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.875 2.383 . . . . 0.0 112.596 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.787 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.6 t -107.6 -72.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.65 -105.94 0.91 Allowed Glycine 0 CA--C 1.502 -0.721 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.868 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -113.61 137.81 51.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-O 121.203 0.525 . . . . 0.0 110.235 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -119.7 131.87 55.52 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -127.78 153.09 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 609' ' ' LEU . 6.6 tp10 -131.04 120.21 23.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.99 124.41 26.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -133.98 157.83 45.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -173.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.15 143.42 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 0.0 110.779 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.595 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.4 p -135.38 165.05 39.29 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.361 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.1 Cg_endo -61.7 -11.4 20.4 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.715 2.277 . . . . 0.0 112.847 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.58 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.9 pt-20 -102.11 -16.05 16.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.258 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 140.39 -170.76 24.27 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.386 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.2 mt -81.85 124.81 30.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.493 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.9 pt20 -139.38 150.5 45.38 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.377 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -88.23 111.29 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.31 124.21 44.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.201 0.524 . . . . 0.0 110.684 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -74.25 134.81 42.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 596' ' ' GLU . 20.1 mt -97.76 145.17 26.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.967 -175.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 166.88 15.86 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.59 -33.29 54.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.63 -29.12 62.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.92 -29.27 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.3 mt -46.52 -58.39 6.81 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.0 Cg_endo -61.3 -33.6 89.22 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.425 2.084 . . . . 0.0 112.555 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.07 -32.42 72.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.239 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 539' ' ' ILE . 3.5 mpt_? -72.95 -45.28 58.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.965 173.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 614' ' ' ILE . 53.9 mt -57.33 -39.44 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.161 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.591 ' O ' ' HB ' ' A' ' 622' ' ' THR . 29.1 mm-40 -56.97 -34.64 68.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 624' ' ' SER . . . -73.53 -45.72 51.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.706 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 28.4 pt -79.47 -1.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.959 0.885 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.591 ' HB ' ' O ' ' A' ' 619' ' ' GLN . 1.2 m -73.83 -27.18 60.98 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.603 175.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 138.51 31.33 0.21 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.375 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 620' ' ' ALA . 17.3 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.985 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -91.44 165.49 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -167.61 124.25 1.13 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.0 mt -117.68 141.01 38.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.71 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -112.61 152.14 29.27 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -102.19 142.93 25.58 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.206 175.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.76 -43.97 51.65 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.111 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.38 -41.74 76.72 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.923 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.6 mm-40 -72.84 -32.5 65.52 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.424 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.568 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 97.7 t -67.76 -30.81 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.458 ' HB3' ' CG1' ' A' ' 591' ' ' VAL . 9.1 ptm180 -81.97 -15.68 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.711 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -52.91 -50.77 79.76 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.535 179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.7 Cg_exo -59.1 -35.49 97.94 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.245 1.964 . . . . 0.0 112.096 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.8 mt -64.01 -24.2 67.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.616 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -84.56 -21.28 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -96.59 -23.38 16.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLY . . . . . 0.418 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 147.73 -25.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.622 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.624 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 67.6 m95 -62.0 152.63 31.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.242 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -131.52 158.18 41.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 537' ' ' VAL . 0.0 OUTLIER -143.52 120.22 11.16 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.468 178.128 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -114.73 137.81 51.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.554 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 78.0 t -116.44 120.85 66.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.774 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.49 119.39 38.79 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.837 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.71 122.99 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 121.3 0.572 . . . . 0.0 110.405 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -127.21 144.7 50.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -76.71 126.64 31.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.128 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.431 ' O ' ' HE2' ' A' ' 541' ' ' LYS . . . -97.66 165.59 22.36 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.236 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.2 t -71.62 -16.31 62.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.079 0.466 . . . . 0.0 110.3 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -109.48 -46.03 3.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -152.74 -177.99 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.52 0.676 . . . . 0.0 111.851 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.443 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 54.1 m95 -89.25 124.56 34.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.844 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -130.67 164.2 25.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.73 0.776 . . . . 0.0 111.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.71 152.03 23.85 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.588 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.94 148.95 45.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.522 0.677 . . . . 0.0 110.669 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.475 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 97.2 m -107.74 125.88 51.94 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' TRP . . . . . 0.491 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 8.8 m0 -109.98 149.3 30.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.637 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.42 ' CE1' ' HD1' ' A' ' 583' ' ' PHE . 15.9 m-85 -132.79 155.92 48.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.902 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -134.9 133.2 39.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.542 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.92 130.31 19.57 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 173.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' PRO . . . . . 0.418 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 52.9 Cg_endo -69.11 -15.48 39.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.629 2.219 . . . . 0.0 112.122 -175.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 57.9 m -129.34 5.6 5.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.81 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -144.51 3.94 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.495 -169.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.418 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.4 OUTLIER -80.08 -176.53 5.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.953 -0.624 . . . . 0.0 112.464 -173.309 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.491 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 36.1 ttp180 -106.09 133.09 51.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.451 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -124.37 143.58 50.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 11.88 2.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.889 0.852 . . . . 0.0 109.525 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.461 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.7 mm100 -118.84 145.57 45.56 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.069 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.757 ' CE1' HD11 ' A' ' 567' ' ' ILE . 14.6 t80 -57.27 -49.08 95.97 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.403 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 31.8 Cg_endo -63.08 -15.62 49.12 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.555 2.17 . . . . 0.0 112.882 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 56.7 mt-10 -83.4 -28.85 28.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.351 0.596 . . . . 0.0 110.856 177.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.624 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 63.1 t -78.84 -44.46 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.581 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.757 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -59.15 -32.86 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.149 0.5 . . . . 0.0 111.304 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.5 ptpt -74.59 -37.06 63.0 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.862 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -66.7 -40.6 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 33.9 mt -67.45 -37.69 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.2 t -74.19 -44.39 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.933 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -75.45 -34.24 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.817 -175.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.81 176.95 4.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.32 117.22 41.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 34.2 t -137.82 104.64 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -104.39 -13.33 16.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.712 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 10.5 p -94.02 -44.78 7.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.273 0.559 . . . . 0.0 111.723 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.54 141.22 39.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.849 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -113.28 173.59 6.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.458 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.9 -32.15 52.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.358 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.12 -23.91 66.83 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -77.79 -12.68 60.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.208 0.528 . . . . 0.0 110.805 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 54.7 m-85 -108.41 124.84 51.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.43 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.3 p -135.28 133.03 38.48 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.475 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 63.4 m-85 -101.22 -0.66 35.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.112 0.482 . . . . 0.0 111.133 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.6 m -61.52 113.8 9.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.94 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.78 10.25 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.584 2.189 . . . . 0.0 112.32 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -93.17 -1.42 56.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 109.747 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 50.9 tpp -91.95 109.52 37.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.629 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.93 52.49 4.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.184 2.59 . . . . 0.0 112.323 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 526' ' ' ARG . 25.7 t -140.03 119.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 110.53 -154.15 16.74 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -166.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.52 138.39 50.2 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.299 0.571 . . . . 0.0 111.171 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 609' ' ' LEU . 13.3 m-85 -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.254 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.39 152.42 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.458 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 609' ' ' LEU . 38.5 tt0 -135.38 126.87 28.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.529 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 606' ' ' TRP . 36.1 tt0 -75.1 121.0 21.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.351 0.595 . . . . 0.0 109.59 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -130.74 159.3 37.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.327 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -94.41 134.84 36.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.54 0.686 . . . . 0.0 111.177 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.6 p -128.82 164.21 40.12 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.1 Cg_endo -60.14 -15.33 33.52 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.664 2.242 . . . . 0.0 112.613 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.442 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 8.6 pt-20 -99.14 -11.16 21.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.864 0.364 . . . . 0.0 110.794 176.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 131.91 -161.96 23.82 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.867 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.24 122.41 30.19 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.562 0.696 . . . . 0.0 110.728 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.414 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.5 pt20 -138.94 153.45 48.22 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 597' ' ' GLU . 53.5 m95 -91.01 110.47 21.73 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 24.3 t -93.56 130.16 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.002 0.43 . . . . 0.0 110.091 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -73.34 135.55 44.34 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.719 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.8 mt -96.2 143.31 27.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 614' ' ' ILE . 37.8 m -84.67 165.5 17.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.83 -31.73 50.36 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.58 -36.12 78.29 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.486 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.17 -29.47 38.75 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.7 mt -46.48 -58.78 6.03 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.33 -177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.622 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 24.9 Cg_endo -62.29 -31.54 81.91 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.371 2.047 . . . . 0.0 112.814 -175.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 t -66.87 -37.58 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.135 0.493 . . . . 0.0 109.714 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.428 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.3 mpt_? -71.94 -39.87 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.334 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.627 ' O ' ' HB ' ' A' ' 622' ' ' THR . 64.7 mt -57.17 -38.99 64.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.907 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.96 -33.84 75.03 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.15 34.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 617' ' ' ARG . 40.0 pt -83.09 -2.25 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.541 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -75.66 -17.07 60.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.896 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 142.89 57.54 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.097 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.151 176.166 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -106.06 149.62 26.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.973 0.416 . . . . 0.0 111.218 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -108.66 115.61 30.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.442 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.6 mt -118.58 132.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -96.98 149.78 21.52 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.186 -175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -102.38 144.58 28.9 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.972 173.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.3 -42.77 62.76 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.791 2.327 . . . . 0.0 112.225 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -58.52 -39.98 81.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.704 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -72.12 -30.68 65.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.73 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -74.84 -31.3 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.911 0.386 . . . . 0.0 111.198 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.8 ptm85 -80.74 -15.11 57.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.937 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.416 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.8 -49.88 77.04 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 122.58 0.352 . . . . 0.0 111.324 177.538 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 51.2 Cg_exo -57.08 -37.19 98.92 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.419 2.08 . . . . 0.0 112.188 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 57.5 mt -64.97 -27.17 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 12.9 mt-30 -77.49 -22.05 51.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.653 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -101.13 -24.15 14.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.83 -27.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.979 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.0 m95 -63.2 157.88 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.731 0.301 . . . . 0.0 110.286 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -131.88 159.43 38.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.643 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.65 119.29 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.675 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -115.18 141.5 47.94 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.353 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.13 119.62 62.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.153 0.501 . . . . 0.0 109.787 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 538' ' ' ARG . 19.5 mtp180 -104.46 118.36 36.41 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.271 -176.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 44.7 mt -113.97 122.78 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.445 0.641 . . . . 0.0 110.647 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -127.74 147.73 50.41 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.7 tptm -82.06 126.51 32.08 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.96 168.83 22.55 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.821 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.5 m -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -108.15 -59.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.96 -179.87 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.454 0.645 . . . . 0.0 112.085 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.513 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.3 m95 -87.23 124.18 33.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.525 174.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.24 163.55 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.363 0.601 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.75 151.67 23.55 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -139.04 148.17 43.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.308 0.575 . . . . 0.0 110.619 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.477 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 58.5 m -108.35 126.05 52.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.072 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -109.91 148.91 30.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.556 0.693 . . . . 0.0 110.617 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.643 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.4 m-85 -131.26 153.07 49.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.454 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -136.17 130.71 33.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.22 135.36 27.55 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.237 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.33 -13.04 27.95 Favored 'Trans proline' 0 CA--C 1.527 0.132 0 C-N-CA 122.895 2.397 . . . . 0.0 112.529 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 36.7 m -135.83 6.15 3.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.952 -175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.73 -147.11 4.74 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 119.606 -1.283 . . . . 0.0 113.241 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -178.0 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.155 -0.522 . . . . 0.0 111.663 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.493 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -118.9 142.68 47.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.565 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -130.1 150.84 51.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.976 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 10.96 2.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.619 0.723 . . . . 0.0 109.811 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.487 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.4 mm100 -117.29 145.22 44.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.198 174.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 567' ' ' ILE . 16.1 t80 -59.96 -49.15 92.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.629 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 36.0 Cg_endo -63.81 -12.61 32.54 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.421 2.081 . . . . 0.0 112.359 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 58.7 mm-40 -89.8 -25.59 21.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 0.0 110.921 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 46.3 t -78.08 -45.17 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.32 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.677 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.64 -32.68 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.189 0.519 . . . . 0.0 111.358 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.53 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.2 ptpm? -73.85 -36.61 64.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.17 -41.69 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.9 mt -67.74 -30.95 70.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.6 t -73.44 -43.64 59.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.931 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 572' ' ' ARG . 19.2 mtp180 -71.38 -35.87 71.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.774 -176.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -110.32 165.46 11.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.234 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.13 116.86 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 141.9 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -137.14 -34.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 111.203 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 32.7 m -68.79 -37.29 79.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.133 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.6 m -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.401 0.619 . . . . 0.0 111.874 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -113.05 175.11 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.78 -32.23 51.74 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.57 -28.42 65.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 45.3 m80 -75.61 -11.93 60.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.252 0.548 . . . . 0.0 111.052 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.53 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 52.0 m-85 -109.2 125.61 52.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.534 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 76.4 p -136.27 140.62 43.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.477 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 64.4 m-85 -108.5 -1.69 19.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.83 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 25.8 m -61.62 118.68 40.21 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.39 11.37 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.64 2.227 . . . . 0.0 112.708 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.449 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 76.0 mtp180 -90.58 -4.92 56.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.758 ' HG3' HG23 ' A' ' 591' ' ' VAL . 47.8 tpp -94.31 105.23 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.739 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.9 Cg_endo -82.67 64.07 8.08 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 123.289 2.659 . . . . 0.0 112.966 -175.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.5 t -102.82 -69.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.05 -103.34 1.43 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.575 -1.298 . . . . 0.0 112.5 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -112.66 138.89 48.8 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.322 0.582 . . . . 0.0 111.036 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.5 m-85 -121.24 132.09 54.61 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.819 174.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -130.1 155.09 46.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.388 . . . . 0.0 110.517 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.2 127.61 38.27 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -74.12 124.77 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -135.19 157.26 47.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.5 137.41 37.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.811 0.815 . . . . 0.0 110.868 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.605 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.9 p -128.86 164.64 37.32 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.748 178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.4 Cg_endo -61.95 -11.27 20.62 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.537 2.158 . . . . 0.0 112.574 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.605 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.7 pt-20 -101.73 -13.91 17.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.933 0.397 . . . . 0.0 110.406 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.02 -163.09 24.83 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.484 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.4 125.71 33.2 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 110.997 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -139.36 151.54 46.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.968 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -86.95 111.36 20.75 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.7 125.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.253 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.11 135.87 42.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.099 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.49 142.09 27.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 18.6 m -79.81 165.96 22.21 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.73 -30.91 61.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.646 0.26 . . . . 0.0 111.403 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -73.99 -29.61 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.794 0.331 . . . . 0.0 111.151 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -81.89 -29.09 32.58 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.911 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.2 mt -46.01 -58.42 6.37 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.196 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 25.5 Cg_endo -61.63 -29.63 84.37 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.515 2.143 . . . . 0.0 112.645 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 37.0 t -64.21 -40.69 96.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 109.912 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.418 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.1 mpt_? -73.55 -40.06 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.617 ' O ' ' HB ' ' A' ' 622' ' ' THR . 63.3 mt -57.21 -39.36 66.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 25.1 mm-40 -58.76 -35.28 72.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.86 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -80.6 -43.32 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 617' ' ' ARG . 45.6 pt -82.89 -5.41 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.119 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -64.29 129.28 39.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.859 0.838 . . . . 0.0 111.027 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -169.87 41.68 0.2 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.344 -176.367 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.708 0.29 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -68.37 146.82 52.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.444 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 2.8 tmm_? -76.6 120.59 22.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.04 141.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.14 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -114.63 149.09 37.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.103 0.478 . . . . 0.0 111.186 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.51 144.49 28.76 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.19 173.585 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.33 -42.9 57.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.559 2.173 . . . . 0.0 112.305 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.15 -39.17 78.09 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 11.8 mm-40 -72.19 -34.02 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.712 ' HB ' HG21 ' A' ' 591' ' ' VAL . 68.9 t -69.8 -31.75 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.745 0.307 . . . . 0.0 111.464 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.0 ptm180 -80.04 -16.75 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.232 -0.292 . . . . 0.0 111.251 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.51 -53.67 43.27 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 178.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 23.1 Cg_endo -63.34 -27.84 71.64 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.209 1.939 . . . . 0.0 112.185 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 25.8 mt -66.35 -19.66 65.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.0 110.146 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 6.8 mt-30 -87.27 -12.0 47.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.14 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -122.89 56.32 1.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 83.83 -42.59 3.07 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.186 -1.007 . . . . 0.0 114.005 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.556 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 77.2 m95 -60.38 152.31 25.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.518 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.33 160.11 34.06 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.706 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.3 ttt180 -144.13 118.7 9.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.696 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.12 136.27 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.899 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.15 125.9 73.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.053 0.454 . . . . 0.0 110.914 -173.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.12 122.61 46.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.458 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.81 124.39 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.291 0.567 . . . . 0.0 110.83 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -131.04 146.33 52.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.242 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.0 tptm -77.97 130.3 36.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.256 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -106.84 169.01 14.72 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.772 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -72.07 -20.75 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -102.95 -50.25 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.648 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -153.3 -177.4 6.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.611 . . . . 0.0 111.199 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 55.4 m95 -85.11 125.07 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.415 173.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -125.78 157.66 36.92 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.656 0.741 . . . . 0.0 111.505 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.24 151.1 23.12 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.542 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -141.21 149.39 41.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.934 0.873 . . . . 0.0 111.128 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.509 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -106.22 126.67 52.51 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.817 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -108.14 147.54 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.829 0.823 . . . . 0.0 110.563 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.706 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -131.21 153.47 49.43 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.864 -1.516 . . . . 0.0 110.18 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -135.19 129.27 33.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.8 129.96 16.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.46 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.64 -17.54 48.02 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.711 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 63.0 m -128.47 5.6 5.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.426 -175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.09 -141.98 3.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.391 -169.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -177.13 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.018 -0.591 . . . . 0.0 111.759 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.552 ' H ' ' NE ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -120.7 140.38 51.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 175.715 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.25 149.03 50.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.768 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.513 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.63 9.24 2.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.645 0.736 . . . . 0.0 109.685 174.633 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -119.82 145.36 46.7 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.575 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.7 t80 -57.66 -49.89 91.2 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.966 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.555 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 42.3 Cg_endo -66.25 -13.73 41.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.024 1.816 . . . . 0.0 112.336 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -85.16 -27.06 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.331 0.586 . . . . 0.0 110.548 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.587 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 47.2 t -78.64 -46.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.626 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -58.82 -32.82 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.555 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.4 ptpt -74.15 -37.02 64.15 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.567 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.49 -41.78 99.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.3 mt -68.34 -32.29 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.117 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 37.0 m -74.11 -44.25 54.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.263 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.4 mtp180 -75.54 -32.27 60.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.359 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -111.54 178.99 4.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.831 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.13 117.79 55.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.797 0.332 . . . . 0.0 110.214 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 35.4 t -141.23 110.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' HIS . . . . . 0.408 ' HA ' ' NH1' ' A' ' 579' ' ' ARG . 7.2 p-80 -111.63 -11.77 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 31.5 p -80.21 -44.55 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 0.0 110.704 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.464 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.9 m -121.88 141.88 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.728 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.446 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 24.3 mmt180 -112.64 173.14 6.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.529 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.15 -32.28 54.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.0 pt-20 -61.01 -26.36 67.55 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.0 m80 -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.318 0.58 . . . . 0.0 110.735 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.463 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 36.1 m-85 -108.03 127.63 53.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.486 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 74.6 p -136.39 137.89 41.0 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 57.2 m-85 -106.88 -2.82 20.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.669 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 62.8 m -62.08 118.03 35.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.5 13.31 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.454 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 17.6 mtm180 -98.37 -0.64 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -94.82 104.12 13.6 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.987 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 85.5 Cg_endo -82.22 67.54 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.987 2.458 . . . . 0.0 112.576 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 84.5 t -104.98 -68.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.74 -108.63 1.8 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.523 -1.322 . . . . 0.0 112.509 -173.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.8 138.88 46.64 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.59 0.709 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -122.25 132.49 54.45 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.373 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.13 155.05 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 4.7 tp10 -134.08 123.89 25.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.763 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.74 124.93 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -134.49 157.55 46.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.933 -174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.59 137.23 37.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 0.0 111.358 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.9 p -131.94 164.23 44.48 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.128 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.5 Cg_endo -62.32 -10.83 19.9 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.631 2.221 . . . . 0.0 112.677 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.1 pt-20 -101.85 -14.82 17.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.007 0.432 . . . . 0.0 110.211 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.38 -169.84 24.12 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.012 -1.09 . . . . 0.0 113.854 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.3 mt -82.33 122.49 28.03 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.314 0.578 . . . . 0.0 110.043 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.482 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.7 pt20 -138.06 150.46 46.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.847 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -88.72 111.73 22.32 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.79 126.68 45.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.328 0.585 . . . . 0.0 110.514 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -73.31 134.7 44.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.958 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 26.7 mt -98.2 145.73 26.32 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -175.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 614' ' ' ILE . 3.8 m -81.36 166.55 20.35 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.71 -35.78 56.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.195 0.309 . . . . 0.0 111.654 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -78.68 -24.33 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.751 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.86 -28.64 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.2 mt -46.64 -58.45 6.8 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.947 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.5 Cg_endo -62.16 -29.88 81.34 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.362 2.042 . . . . 0.0 112.83 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 22.5 t -69.56 -34.22 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.338 0.59 . . . . 0.0 109.663 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.63 -42.39 64.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.542 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 614' ' ' ILE . 66.9 mt -56.97 -39.79 68.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.047 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.7 mm-40 -57.85 -35.42 70.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.73 44.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.951 0.405 . . . . 0.0 111.196 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 41.5 pt -86.24 -2.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 5.7 t -66.6 163.89 17.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.487 -175.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -166.54 48.25 0.26 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.271 -179.797 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -97.42 137.57 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 0.0 110.3 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.483 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 3.1 tmm_? -83.43 113.55 20.84 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.36 142.09 23.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.087 -175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -113.94 149.63 34.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.06 144.66 29.08 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 176.433 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -42.89 60.2 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.212 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.69 -42.15 78.58 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 23.0 mm-40 -73.1 -33.6 65.69 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.613 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.724 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.5 t -70.99 -34.29 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.052 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.586 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.6 ptm180 -78.89 -15.28 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.228 -0.295 . . . . 0.0 111.266 176.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.71 -54.8 32.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 122.801 0.44 . . . . 0.0 111.856 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.3 Cg_endo -60.34 -26.68 83.25 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.322 2.015 . . . . 0.0 112.363 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 37.4 mt -68.8 -20.28 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -92.49 -7.46 47.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.337 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -104.39 -29.88 10.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.33 -24.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.788 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 42.4 m95 -69.29 162.7 26.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.757 0.313 . . . . 0.0 110.614 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.433 ' HA ' HD22 ' A' ' 529' ' ' LEU . 79.2 ttt180 -137.36 161.37 36.47 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 172.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 5.0 ttt180 -144.42 119.56 10.11 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.525 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -116.55 141.69 47.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.497 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.13 120.55 64.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.257 0.551 . . . . 0.0 109.929 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -105.05 119.78 39.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.097 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.9 mt -113.48 123.34 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.56 0.695 . . . . 0.0 110.675 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -130.5 146.55 52.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.222 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.446 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.5 tptm -76.32 124.61 27.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.13 168.3 23.23 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.525 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.6 m -66.94 -29.52 69.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.592 . . . . 0.0 110.217 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -98.0 -59.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.248 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -140.28 -178.47 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 111.396 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 30.0 m95 -83.77 124.35 30.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.074 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.12 154.57 44.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.672 0.748 . . . . 0.0 112.043 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.4 150.27 22.51 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.652 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -136.38 148.06 47.64 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.51 0.671 . . . . 0.0 110.281 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 70.5 m -107.98 126.45 52.73 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.601 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -107.65 147.57 30.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.983 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.6 OUTLIER -132.99 149.2 52.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.086 177.138 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.6 133.08 43.21 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.552 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.68 136.99 29.95 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -51.18 -30.16 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 123.173 2.582 . . . . 0.0 113.583 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.22 -25.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.274 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -83.41 -150.49 10.03 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.896 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.96 -177.95 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 -177.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.417 ' HD3' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -121.26 141.5 50.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.386 0.612 . . . . 0.0 110.664 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.454 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -123.36 144.84 49.2 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.685 -176.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -122.23 -3.61 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -115.67 144.92 43.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.388 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.691 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.5 t80 -58.84 -48.66 96.39 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.305 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.8 Cg_endo -63.62 -14.15 40.89 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.338 2.025 . . . . 0.0 112.395 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 67.5 mm-40 -84.84 -26.97 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.353 0.597 . . . . 0.0 111.096 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 61.8 t -79.74 -44.1 23.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.614 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -58.83 -32.55 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 121.282 0.563 . . . . 0.0 111.172 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.43 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.9 ptpt -74.52 -38.61 62.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.666 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -61.78 -44.12 97.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 -176.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -67.97 -39.89 83.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.368 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.7 m -72.79 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.863 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -77.6 -36.98 51.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 111.06 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -102.2 -171.34 1.95 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.176 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.55 116.41 52.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 58.9 t -142.65 120.25 7.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -114.04 -30.82 6.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.463 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.7 m -69.42 -44.37 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.49 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.95 137.75 49.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.42 0.629 . . . . 0.0 112.59 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -113.35 171.38 7.59 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.47 -32.45 57.76 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.767 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.483 ' HA ' ' NH1' ' A' ' 518' ' ' ARG . 12.2 pt-20 -58.44 -28.9 65.72 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 35.5 m80 -74.35 -11.76 60.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 111.023 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.429 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 59.8 m-85 -108.64 128.19 54.62 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.79 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.3 t -135.49 134.51 39.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -108.33 -2.43 19.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 111.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.1 m -61.74 117.39 27.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.55 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -74.54 11.59 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.63 2.22 . . . . 0.0 112.259 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 588' ' ' ARG . 48.1 mtm180 -94.74 -2.67 50.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.747 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.9 tpp -96.47 106.35 28.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.417 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 614' ' ' ILE . 92.7 Cg_endo -82.89 67.48 7.78 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.238 2.625 . . . . 0.0 112.928 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 589' ' ' MET . 76.8 t -104.96 -73.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.44 -95.42 0.84 Allowed Glycine 0 C--N 1.336 0.542 0 C-N-CA 119.532 -1.318 . . . . 0.0 112.857 -170.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.49 138.57 54.55 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.9 m-85 -123.01 132.54 54.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.336 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.85 155.26 46.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -134.31 129.37 35.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.23 126.27 30.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.155 0.502 . . . . 0.0 110.034 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -134.02 156.73 47.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.979 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -102.9 145.47 29.76 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.546 0.688 . . . . 0.0 111.094 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 20.6 p -136.41 165.21 37.17 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.324 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.554 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.7 Cg_endo -60.23 -10.37 12.84 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.937 2.424 . . . . 0.0 112.709 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 13.3 pt-20 -102.11 -15.78 16.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.143 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.48 -174.98 20.46 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.642 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.6 121.72 20.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.212 0.53 . . . . 0.0 110.663 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.463 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.2 pt20 -135.79 145.97 47.08 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.633 178.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -88.54 111.83 22.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.7 t -92.36 127.1 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.462 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -74.23 136.59 42.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.003 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.17 142.85 27.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.2 m -79.48 167.04 21.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.99 -32.4 61.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 111.392 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.16 -25.89 47.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.559 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -82.04 -29.52 31.89 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 611' ' ' ALA . 43.5 mt -47.77 -58.72 7.01 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.073 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.7 Cg_endo -59.97 -30.95 92.84 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.542 2.162 . . . . 0.0 112.616 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 m -66.25 -39.64 89.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.027 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -72.6 -39.18 67.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.845 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.0 mt -56.48 -41.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.843 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.0 mm-40 -56.43 -34.97 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.094 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -79.2 -43.85 23.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.735 0.302 . . . . 0.0 111.006 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.81 -3.19 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.491 0.662 . . . . 0.0 110.177 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.1 m -77.83 119.92 22.0 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.143 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -153.58 69.39 0.3 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.099 -178.793 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -76.58 137.34 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.146 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 581' ' ' GLU . 4.2 tmt_? 68.0 117.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 124.134 0.896 . . . . 0.0 111.46 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.9 mt -96.36 141.3 15.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.112 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.64 151.05 19.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -100.48 147.68 33.92 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.505 177.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.1 -42.49 64.38 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.791 2.327 . . . . 0.0 112.116 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 526' ' ' ARG . 13.2 pt-20 -60.29 -37.91 81.96 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.69 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 27.9 mm-40 -72.09 -33.64 68.05 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.716 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -71.79 -31.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.833 0.349 . . . . 0.0 111.348 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 7.7 ptm180 -79.94 -15.64 56.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.352 -0.218 . . . . 0.0 111.197 174.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.22 -49.65 74.84 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 122.361 0.264 . . . . 0.0 111.213 177.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.4 Cg_exo -55.73 -37.85 95.03 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.43 2.087 . . . . 0.0 112.376 174.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -63.08 -25.24 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.511 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.72 -8.03 58.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -128.12 55.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.521 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.08 -45.93 3.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.128 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.8 m95 -60.85 156.46 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -175.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -133.38 161.33 34.81 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.741 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.5 tmt_? -147.77 119.42 8.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.116 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -114.52 142.18 46.74 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.403 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.5 116.79 53.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -107.56 118.02 35.62 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.245 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 41.9 mt -110.74 123.62 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 121.544 0.688 . . . . 0.0 110.472 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.89 144.19 50.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.44 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.35 122.74 22.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -86.89 168.43 39.31 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.576 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.4 m -64.7 -27.35 68.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.257 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -109.12 -58.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.875 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -135.74 -173.25 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.079 0.466 . . . . 0.0 111.365 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -85.86 124.84 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.446 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -128.64 161.16 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.576 0.703 . . . . 0.0 111.856 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.13 151.66 23.41 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -139.2 150.28 45.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.878 0.847 . . . . 0.0 111.387 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 27.5 m -104.47 126.68 51.78 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.016 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -107.97 146.05 33.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 110.425 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.741 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.2 m-85 -130.98 152.81 49.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.083 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -135.18 130.11 34.82 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.82 131.41 25.9 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.446 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.16 6.6 2.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.169 -175.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.89 -142.18 3.34 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.031 -1.08 . . . . 0.0 112.993 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.49 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -78.62 -177.41 5.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.341 -0.429 . . . . 0.0 111.263 -176.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -120.87 142.67 49.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.143 0.497 . . . . 0.0 110.338 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -127.94 145.0 51.1 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.901 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -135.03 11.97 3.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.884 0.85 . . . . 0.0 109.397 176.514 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 20.5 mm-40 -121.93 145.13 48.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.494 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.6 t80 -58.23 -49.62 92.6 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.788 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 40.9 Cg_endo -65.18 -13.6 40.63 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.269 1.979 . . . . 0.0 112.422 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 35.4 mm-40 -86.93 -25.89 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.146 0.498 . . . . 0.0 110.929 176.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.16 -44.1 27.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.432 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 12.6 mm -57.67 -33.41 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -178.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.2 -37.8 63.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.834 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.12 -42.03 97.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.56 -38.56 84.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.39 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 40.9 m -72.68 -41.22 65.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.521 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 28.8 mtp180 -78.61 -19.16 53.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 -176.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -118.76 -171.24 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.038 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.6 t -114.52 116.54 52.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 22.7 t -144.83 110.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.006 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -109.09 -25.76 10.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.2 m -69.44 -44.49 71.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.079 0.466 . . . . 0.0 110.605 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 528' ' ' PRO . 15.7 m -121.48 138.72 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.449 0.643 . . . . 0.0 112.309 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.452 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 23.2 mmm180 -112.42 175.47 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.441 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -55.2 -31.28 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.345 0.521 . . . . 0.0 111.781 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 518' ' ' ARG . 10.8 pt-20 -61.31 -21.74 64.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.0 m80 -82.45 -10.71 58.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.583 0.706 . . . . 0.0 110.634 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.581 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 72.4 m-85 -107.08 127.18 53.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.0 m -136.11 132.05 35.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.485 ' CE1' ' HD2' ' A' ' 552' ' ' TYR . 53.5 m-85 -103.23 -0.45 30.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.788 -176.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 24.4 m -62.85 117.62 34.13 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.696 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.8 11.42 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.006 2.471 . . . . 0.0 112.081 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -100.37 2.26 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.814 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -97.83 104.5 21.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.216 176.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 90.6 Cg_endo -81.51 70.54 7.29 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.985 2.457 . . . . 0.0 112.712 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.5 t -105.43 -70.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.52 -109.91 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.684 -1.246 . . . . 0.0 112.266 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -109.62 139.22 44.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.369 0.604 . . . . 0.0 110.582 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.0 m-85 -120.31 132.71 55.42 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.299 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.79 155.14 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.11 127.22 37.68 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.281 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -74.68 120.3 20.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -136.8 156.9 47.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.113 -172.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.39 143.16 30.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.863 0.839 . . . . 0.0 110.882 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.8 p -135.75 164.84 40.5 Favored Pre-proline 0 C--N 1.305 -1.366 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.18 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.5 Cg_endo -59.24 -14.97 26.58 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.873 2.382 . . . . 0.0 112.859 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.578 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.1 pt-20 -97.14 -17.96 19.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.13 0.49 . . . . 0.0 110.265 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.68 -164.99 25.15 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.222 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.25 122.47 28.46 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -137.05 151.0 48.43 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.979 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -88.56 110.2 20.7 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 50.8 t -93.84 128.8 44.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.208 0.528 . . . . 0.0 110.529 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -74.13 135.68 42.9 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.063 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.4 mt -96.1 142.61 28.08 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.453 ' O ' HG13 ' A' ' 614' ' ' ILE . 4.0 m -79.65 166.75 21.52 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.09 -34.36 56.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.091 0.244 . . . . 0.0 111.349 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.94 -29.96 63.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.103 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.03 -28.83 32.29 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 110.872 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.1 mt -46.92 -58.54 6.81 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.153 -0.93 . . . . 0.0 113.251 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.648 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.9 Cg_endo -60.72 -32.95 93.63 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.405 2.07 . . . . 0.0 112.683 -175.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.2 m -64.46 -39.89 94.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 0.0 110.274 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -72.03 -39.57 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.0 mt -56.73 -42.99 78.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.109 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.4 mm-40 -58.48 -32.95 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.7 -43.4 25.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.058 0.456 . . . . 0.0 110.726 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 33.6 pt -78.78 -3.53 5.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 0.0 110.169 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.1 m -79.9 -24.53 41.06 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.479 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -64.76 102.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.286 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.402 -0.808 . . . . 0.0 109.993 -178.595 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -69.38 145.87 52.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.571 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -118.55 121.7 40.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.253 0.549 . . . . 0.0 110.794 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.8 mt -102.79 137.26 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -97.75 149.16 22.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.148 0.499 . . . . 0.0 111.618 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -104.0 143.86 27.51 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.16 171.829 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.45 -42.91 58.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 112.277 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.95 -39.94 79.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 18.1 mm-40 -72.71 -31.79 65.26 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.22 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.761 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -71.35 -31.98 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.865 0.364 . . . . 0.0 111.283 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 1.2 ptm180 -80.34 -14.33 58.44 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.532 174.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -51.45 -48.49 86.2 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 122.191 0.196 . . . . 0.0 111.327 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.605 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 49.7 Cg_exo -56.93 -37.09 99.16 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.407 2.071 . . . . 0.0 112.223 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 71.1 mt -63.47 -20.9 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.3 mt-30 -87.05 -17.04 33.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.565 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -122.01 58.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.42 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 84.01 -38.94 2.84 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.409 174.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 71.2 m95 -64.38 155.42 32.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.315 0.557 . . . . 0.0 111.611 -176.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -130.95 157.67 42.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.646 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.6 ttt180 -146.12 119.88 9.24 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.693 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.07 141.91 46.86 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.339 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.76 117.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.22 120.83 43.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.757 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.74 125.1 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.927 -174.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -132.58 142.73 49.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.015 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.5 tptm -73.55 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.657 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.37 168.92 20.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.001 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -69.24 -25.88 64.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.039 0.447 . . . . 0.0 110.269 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -101.51 -55.06 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.787 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -146.95 -174.94 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.142 0.496 . . . . 0.0 111.208 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 47.8 m95 -87.17 124.71 33.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.788 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -125.65 163.74 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.611 0.72 . . . . 0.0 111.457 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.19 150.53 22.29 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.624 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -136.71 148.01 47.08 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.714 0.769 . . . . 0.0 110.791 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 55.5 m -106.48 125.42 50.98 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.76 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.14 145.59 33.93 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.655 0.741 . . . . 0.0 110.409 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.646 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 13.9 m-85 -131.58 153.88 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -134.19 130.89 37.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.583 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.76 19.86 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' PRO . . . . . 0.444 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 42.9 Cg_endo -68.65 -7.17 19.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.834 2.356 . . . . 0.0 113.034 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -135.32 5.14 3.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.14 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.91 -142.58 3.44 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.747 -1.216 . . . . 0.0 113.286 -168.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.416 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.2 OUTLIER -76.68 -176.49 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.449 . . . . 0.0 111.401 -175.718 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.72 138.23 53.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.214 0.531 . . . . 0.0 110.348 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.5 mpp? -121.45 144.54 48.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 -176.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.62 8.95 2.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.814 0.816 . . . . 0.0 110.14 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.426 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 14.0 mm100 -119.88 145.77 46.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.393 173.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.3 t80 -55.31 -49.08 94.45 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.462 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 33.4 Cg_endo -63.74 -15.71 50.48 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.243 1.962 . . . . 0.0 112.537 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 560' ' ' MET . 98.7 mt-10 -84.09 -27.96 27.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 176.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.636 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.1 t -77.67 -44.21 29.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.422 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.2 mm -58.88 -33.06 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.132 0.491 . . . . 0.0 111.025 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -74.16 -38.63 63.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.005 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -65.46 -41.67 93.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 27.1 mt -66.39 -35.01 79.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.191 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 45.7 m -73.46 -44.65 57.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.02 -35.71 59.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.046 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.49 170.2 8.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.56 116.27 31.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.88 132.98 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -138.06 -26.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.782 0.325 . . . . 0.0 110.776 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 22.5 m -68.06 -39.21 83.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 0.0 110.551 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 528' ' ' PRO . 9.8 m -121.06 138.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.671 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -113.41 175.36 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.433 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.32 -31.34 53.99 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.402 0.546 . . . . 0.0 112.174 -176.55 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.65 -28.09 65.36 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 42.3 m80 -77.65 -11.91 59.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.543 . . . . 0.0 110.965 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.58 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 59.2 m-85 -107.76 126.99 53.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.774 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 78.4 p -136.42 137.99 41.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.466 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.3 m-85 -106.47 -3.41 20.95 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.798 -176.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.3 m -61.8 118.6 40.03 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.15 12.82 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.924 2.416 . . . . 0.0 112.287 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -99.25 1.18 44.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.813 ' HG3' HG23 ' A' ' 591' ' ' VAL . 55.3 tpp -98.86 103.5 19.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.439 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 87.0 Cg_endo -80.18 71.22 7.16 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 123.001 2.467 . . . . 0.0 112.569 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.813 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.0 t -106.39 -71.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -176.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.26 -112.12 0.96 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.546 -1.311 . . . . 0.0 112.352 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -110.49 141.34 43.75 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.36 0.6 . . . . 0.0 110.346 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.1 m-85 -119.85 132.57 55.61 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.037 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -130.97 152.33 50.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.112 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.411 ' HB3' HD11 ' A' ' 609' ' ' LEU . 8.6 pt-20 -132.82 131.64 41.27 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.0 121.3 21.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 598' ' ' ARG . 19.3 ttt180 -134.14 158.08 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.022 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -100.46 140.7 34.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.489 0.661 . . . . 0.0 110.831 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.2 p -134.35 165.0 39.94 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.815 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.18 -12.58 23.87 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.493 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.4 pt-20 -99.98 -13.62 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.001 0.429 . . . . 0.0 110.464 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.55 -170.48 22.33 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 119.807 -1.187 . . . . 0.0 114.068 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.25 117.61 20.42 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.426 0.632 . . . . 0.0 110.636 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -135.32 153.08 51.98 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.51 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.26 110.57 20.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.76 128.58 45.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.85 135.87 43.43 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.818 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 596' ' ' GLU . 39.6 mt -95.6 143.16 27.12 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 614' ' ' ILE . 50.5 m -88.68 169.58 11.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.55 -34.05 56.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.165 0.291 . . . . 0.0 111.769 -175.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 5.8 mp0 -67.33 -35.95 80.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 110.031 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -81.65 -30.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.089 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 618' ' ' ILE . 37.8 mt -46.18 -59.15 5.22 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.279 -176.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 37.2 Cg_endo -64.64 -28.25 60.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.347 2.031 . . . . 0.0 112.658 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.6 m -69.22 -36.68 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.065 0.46 . . . . 0.0 110.259 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.0 -38.83 66.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 174.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -57.03 -38.39 60.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.695 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 26.0 mm-40 -57.91 -36.05 71.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.734 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.11 -45.08 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.001 0.429 . . . . 0.0 111.139 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 618' ' ' ILE . 38.5 pt -84.14 -2.02 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.197 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 3.1 t -68.96 -20.21 64.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -177.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 132.7 -128.08 5.04 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.662 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.096 -179.515 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.16 131.98 47.41 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -90.71 113.41 25.5 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.12 152.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -106.73 148.91 27.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.189 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.73 148.1 34.56 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.137 175.269 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 522' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 591' ' ' VAL . 10.3 Cg_endo -52.47 -42.49 60.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.284 . . . . 0.0 112.167 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -57.25 -40.33 77.41 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.446 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.5 mm-40 -71.85 -38.38 70.11 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.326 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 521' ' ' THR . 87.9 t -66.83 -30.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.36 -15.26 43.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.842 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.63 -54.24 33.23 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.483 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 18.7 Cg_endo -60.18 -29.81 89.9 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.704 2.27 . . . . 0.0 112.597 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 41.5 mt -68.78 -19.93 64.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.527 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -86.69 -21.41 26.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.255 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -92.78 -27.12 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.837 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.86 -25.82 0.92 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.047 -1.073 . . . . 0.0 112.606 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.53 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.8 m95 -63.83 157.15 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.653 0.263 . . . . 0.0 110.558 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -133.78 158.87 42.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.61 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 8.4 ttt180 -143.29 120.94 11.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -112.22 139.13 48.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.22 115.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.488 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 89.4 mtt180 -106.6 119.48 39.4 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.482 -174.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.03 123.61 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.305 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -130.52 147.32 52.19 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.069 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.428 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.3 tptm -75.61 124.77 27.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.761 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.68 167.47 24.45 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.247 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.5 m -71.65 -18.55 62.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.151 0.5 . . . . 0.0 110.457 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.24 -54.37 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.607 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.09 -176.82 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.428 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 42.4 m95 -82.26 125.07 30.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.525 176.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -126.19 157.83 37.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.437 0.637 . . . . 0.0 111.525 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -150.79 150.74 22.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.863 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.83 148.5 47.18 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.6 0.714 . . . . 0.0 110.673 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 51.2 m -108.31 125.83 52.14 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.029 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -109.4 149.27 29.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.193 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.61 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 19.5 m-85 -132.28 154.83 49.28 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.099 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.9 131.88 39.63 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.53 131.43 16.58 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.233 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 -26.94 44.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.505 2.137 . . . . 0.0 112.179 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.2 p -119.44 6.31 11.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.703 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.55 -146.1 4.38 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.661 -1.256 . . . . 0.0 113.324 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.08 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 0.0 111.573 -176.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 143.32 45.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.501 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -126.17 143.79 51.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.293 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -135.27 7.93 3.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.791 0.805 . . . . 0.0 109.899 176.555 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.493 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 17.1 mm-40 -118.2 145.39 45.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.402 175.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.764 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -54.41 -49.8 88.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.493 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.0 Cg_endo -64.0 -14.04 41.02 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.317 2.011 . . . . 0.0 112.711 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.501 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 36.8 mt-10 -84.37 -28.57 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.258 0.552 . . . . 0.0 111.057 176.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 62.2 t -78.87 -43.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.491 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -60.17 -32.9 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 19.8 ptpt -73.74 -38.06 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.173 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -64.91 -42.38 94.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -175.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.7 mt -68.2 -38.9 82.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.575 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.7 t -73.03 -40.42 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.544 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.8 mtp180 -77.19 -42.88 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 111.53 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -98.15 -177.12 3.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.842 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.23 115.9 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.103 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 47.0 t -146.16 123.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -123.66 -27.33 4.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 p -68.95 -43.85 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 111.054 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.429 HG11 ' CA ' ' A' ' 528' ' ' PRO . 2.4 m -117.61 137.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.705 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.41 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 12.5 mmm180 -113.44 171.49 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.469 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.77 -31.63 58.93 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -176.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.9 pt-20 -57.33 -30.62 64.95 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.54 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 40.8 m80 -74.26 -12.56 60.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.986 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.484 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.4 m-85 -109.83 126.38 53.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.541 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 69.2 p -134.82 137.75 43.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 60.5 m-85 -106.21 -2.38 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.036 0.446 . . . . 0.0 111.199 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.0 m -62.73 115.18 15.2 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.955 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.52 12.91 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.839 2.359 . . . . 0.0 112.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -98.83 1.04 45.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.68 0.753 . . . . 0.0 109.017 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 53.7 tpp -93.62 108.29 33.12 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.771 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.2 55.95 5.26 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.272 2.648 . . . . 0.0 112.472 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 522' ' ' PRO . 43.8 t -137.17 140.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.328 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 104.08 -122.79 7.51 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.01 140.78 36.31 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -119.85 132.05 55.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.014 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -129.12 153.35 47.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 0.0 110.402 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -130.43 123.75 30.52 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.81 120.84 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -132.14 158.21 42.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.86 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -99.67 143.83 29.45 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.819 0.818 . . . . 0.0 110.845 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.607 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.9 p -135.39 164.59 42.61 Favored Pre-proline 0 C--N 1.306 -1.32 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.173 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.9 Cg_endo -61.87 -11.24 20.19 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.584 2.19 . . . . 0.0 112.704 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.607 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 14.9 pt-20 -102.63 -15.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.561 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.18 -171.71 23.53 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.681 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.14 123.71 29.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.313 0.578 . . . . 0.0 110.141 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.0 pt20 -136.43 150.76 48.91 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.373 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 64.4 m95 -87.06 110.11 19.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.69 124.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.207 0.527 . . . . 0.0 110.548 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -73.19 136.06 44.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.049 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 613' ' ' GLU . 24.4 mt -98.52 145.37 26.86 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 614' ' ' ILE . 16.8 p -80.69 167.38 20.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.19 -35.08 48.11 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.11 -31.73 64.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.03 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.428 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 35.6 mt-10 -81.66 -28.54 33.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.925 0.393 . . . . 0.0 110.948 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 611' ' ' ALA . 35.2 mt -46.32 -58.55 6.36 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.1 Cg_endo -60.71 -33.27 93.37 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.533 2.155 . . . . 0.0 112.89 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.26 -35.26 77.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.452 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -72.81 -40.59 65.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 614' ' ' ILE . 67.9 mt -56.98 -44.27 82.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.829 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 35.3 mm-40 -54.91 -34.11 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.81 -43.25 25.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.3 pt -75.92 -11.43 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.457 0.646 . . . . 0.0 109.98 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.3 m -84.03 124.19 30.81 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.036 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -85.59 -49.99 4.16 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.102 177.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.13 146.81 32.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -124.66 121.65 35.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.8 mt -87.21 134.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -104.64 146.25 29.19 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.992 0.425 . . . . 0.0 110.757 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.94 147.02 33.31 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 175.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.2 -42.96 61.15 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.938 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.26 -40.61 78.02 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.556 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 528' ' ' PRO . 15.9 mm-40 -71.56 -35.97 70.79 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 111.273 175.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 521' ' ' THR . 94.0 t -68.4 -30.7 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.345 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.75 -15.11 49.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.769 178.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.72 -50.92 78.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 122.727 0.411 . . . . 0.0 111.615 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.6 Cg_exo -60.22 -32.39 94.32 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.189 1.926 . . . . 0.0 112.295 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.6 mt -67.13 -20.71 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.471 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 31.9 mt-30 -86.11 -21.38 27.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.325 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.021 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' GLY . . . . . 0.507 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 154.06 -28.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.731 -1.223 . . . . 0.0 113.18 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.459 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.6 m95 -62.21 156.42 21.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 110.662 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -131.8 158.1 42.15 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 7.3 ttt180 -142.9 120.14 11.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.26 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -113.58 139.38 49.05 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.42 117.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.7 mtt180 -102.67 119.86 39.57 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.102 -175.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 32.6 mt -114.71 122.75 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-O 121.449 0.642 . . . . 0.0 110.412 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -130.67 148.28 52.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.855 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.0 126.68 30.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.764 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.64 167.02 30.68 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.668 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.1 m -68.75 -25.0 64.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.219 0.533 . . . . 0.0 110.09 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -109.38 -57.78 2.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.714 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.67 -177.87 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.467 0.651 . . . . 0.0 111.818 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -84.98 125.29 32.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.869 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -125.72 149.63 48.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.816 0.817 . . . . 0.0 111.842 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -142.25 150.45 22.11 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.61 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.87 149.81 45.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.564 0.697 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 56.2 m -106.44 126.05 51.76 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.087 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -108.98 149.05 29.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 17.0 m-85 -133.69 152.03 51.79 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.661 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -133.91 132.87 40.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.372 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.02 139.18 32.19 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.986 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' PRO . . . . . 0.507 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 74.8 Cg_endo -78.42 -7.23 15.88 Favored 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 123.011 2.474 . . . . 0.0 112.341 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 48.6 t -141.35 5.54 1.86 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.339 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.62 -149.73 5.46 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.253 -169.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.551 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -74.82 -177.19 3.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.929 -0.636 . . . . 0.0 111.81 -175.251 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.74 140.36 50.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.101 0.477 . . . . 0.0 110.703 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -127.6 148.96 50.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.977 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.35 10.21 3.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.601 0.715 . . . . 0.0 109.526 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -117.08 145.78 43.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.775 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 567' ' ' ILE . 8.9 t80 -60.48 -49.59 89.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.601 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.536 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 46.8 Cg_endo -66.71 -10.92 29.85 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.216 1.944 . . . . 0.0 112.643 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.7 -26.8 22.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 111.079 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 64.9 t -79.45 -43.28 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.9 mm -59.01 -31.28 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.035 0.445 . . . . 0.0 111.393 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.3 ptpt -74.65 -36.32 62.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.079 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.65 -42.2 98.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.03 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.32 -42.15 84.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.146 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 19.7 m -72.96 -40.94 64.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.657 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -77.0 -17.03 59.13 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.459 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -123.1 -167.08 1.54 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.8 t -115.74 115.42 49.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 59.6 t -150.13 105.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.98 -9.37 10.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 21.5 m -73.77 -43.38 59.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 0.0 109.862 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 12.3 m -120.79 141.62 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.947 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.11 175.42 5.45 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.442 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.007 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.89 -27.51 65.29 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 47.2 m80 -73.0 -11.41 60.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.379 0.609 . . . . 0.0 110.632 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.505 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 48.2 m-85 -108.97 127.26 53.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.515 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 50.9 p -132.92 133.53 43.35 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.442 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.8 m-85 -102.64 -6.08 23.13 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.501 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 58.5 m -61.79 116.95 24.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.701 171.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.93 13.54 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.727 2.285 . . . . 0.0 112.172 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -94.24 -2.0 53.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.409 ' HG2' HG21 ' A' ' 525' ' ' VAL . 52.6 tpp -94.79 108.19 35.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.039 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.2 55.64 5.45 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.245 2.63 . . . . 0.0 112.814 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.27 141.41 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 102.0 -124.77 8.31 Favored Glycine 0 N--CA 1.435 -1.408 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -138.99 140.05 38.08 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.0 131.27 55.1 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.053 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -130.65 153.92 48.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.313 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -131.51 126.69 35.58 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.187 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.99 121.68 22.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -135.17 156.96 48.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.477 -172.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.54 134.24 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.573 0.702 . . . . 0.0 111.576 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.631 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.3 p -130.18 164.91 37.58 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.022 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.8 Cg_endo -61.65 -11.59 21.1 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.741 2.294 . . . . 0.0 112.892 177.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.631 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.6 pt-20 -99.68 -17.62 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.235 0.54 . . . . 0.0 109.823 175.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.87 -170.04 23.63 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.596 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.63 122.46 25.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.35 0.595 . . . . 0.0 110.145 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.451 ' CD ' HG21 ' A' ' 600' ' ' THR . 12.3 pt20 -136.31 149.5 48.45 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 66.1 m95 -87.17 110.38 20.11 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.85 127.41 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.218 0.532 . . . . 0.0 110.573 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.78 134.97 43.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.95 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.7 mt -95.13 143.37 26.63 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -81.37 166.6 20.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.33 -33.88 59.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.428 0.156 . . . . 0.0 111.339 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.87 -29.99 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.679 0.276 . . . . 0.0 111.145 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.2 -27.98 32.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.7 mt -47.91 -58.12 8.57 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.738 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.539 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.0 Cg_endo -59.6 -32.94 96.8 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.646 2.23 . . . . 0.0 112.509 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.3 m -63.02 -40.99 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.07 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.9 mpt_? -72.87 -39.7 66.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.093 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.8 mt -56.78 -38.79 60.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.82 -34.36 75.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.22 -44.22 30.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.924 0.392 . . . . 0.0 111.181 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 617' ' ' ARG . 46.6 pt -85.56 -2.05 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.24 -176.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 5.8 t -57.82 164.94 1.92 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.357 -175.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -75.37 73.21 1.61 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.245 -0.503 . . . . 0.0 112.838 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.131 0 C-N-CA 123.308 0.643 . . . . 0.0 110.741 177.746 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.571 0.224 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.6 130.35 38.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -93.05 111.32 22.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 174.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.18 134.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.407 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.33 143.67 26.05 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.438 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.4 OUTLIER -99.52 153.41 37.79 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.41 174.608 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 522' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 7.8 Cg_endo -51.5 -43.46 49.95 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.029 1.819 . . . . 0.0 111.429 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.438 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 13.6 pt-20 -55.67 -42.49 75.17 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.431 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 7.4 mm-40 -69.57 -35.94 75.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.672 ' HB ' HG21 ' A' ' 591' ' ' VAL . 63.7 t -74.71 -31.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.999 0.428 . . . . 0.0 111.191 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.54 ' HB3' HG13 ' A' ' 591' ' ' VAL . 6.1 ptm180 -81.64 -15.77 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.55 -50.42 66.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 122.42 0.288 . . . . 0.0 111.066 177.23 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 40.9 Cg_exo -57.3 -36.62 98.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.522 2.148 . . . . 0.0 112.249 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 65.6 mt -63.33 -27.1 69.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.369 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 13.6 mt-30 -81.91 -19.69 40.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.873 -177.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -99.12 -21.95 15.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 147.23 -23.85 1.57 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.064 -1.065 . . . . 0.0 112.79 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.504 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 56.3 m95 -64.58 160.64 19.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.575 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -128.9 159.58 35.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.69 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 2.2 ttt180 -145.8 118.72 8.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.448 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.85 141.22 48.38 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.2 t -116.51 118.84 60.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.223 0.535 . . . . 0.0 109.67 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' A' ' 549' ' ' GLU . 89.2 mtt180 -101.74 117.91 35.84 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.303 -177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.1 mt -112.67 122.85 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.605 0.717 . . . . 0.0 110.795 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -128.6 146.34 50.88 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.764 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.439 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 24.5 tptm -73.52 122.35 22.06 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.47 169.16 32.67 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.271 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.8 m -66.21 -26.36 67.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.075 0.465 . . . . 0.0 110.487 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -106.56 -59.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.64 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -140.97 -170.06 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -176.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.439 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.7 m95 -85.47 124.5 32.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.582 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -128.2 159.96 33.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.508 0.67 . . . . 0.0 111.908 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -144.71 151.17 23.31 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.951 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 538' ' ' ARG . 9.2 pt-20 -133.76 145.03 49.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.269 0.557 . . . . 0.0 109.992 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.8 m -107.81 124.58 50.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.975 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -109.56 147.77 32.42 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.654 0.74 . . . . 0.0 110.794 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.69 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.0 m-85 -130.1 152.13 49.88 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.185 177.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -135.75 129.6 32.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.45 27.91 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.007 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.79 -6.94 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.908 2.405 . . . . 0.0 112.522 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.63 7.02 1.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.234 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.84 -148.18 5.01 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.096 -1.05 . . . . 0.0 113.046 -171.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -176.2 3.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.605 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.459 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.45 140.08 50.07 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.413 0.625 . . . . 0.0 110.601 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.16 144.76 50.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.518 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.44 8.64 2.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.761 0.791 . . . . 0.0 110.227 177.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.7 mm100 -117.29 145.49 43.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.673 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.6 t80 -55.64 -48.93 95.4 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.199 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.7 Cg_endo -62.23 -16.61 52.03 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.54 2.16 . . . . 0.0 112.622 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 92.7 mt-10 -83.84 -28.5 27.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.806 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.7 t -78.41 -44.82 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -57.83 -33.5 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.081 0.467 . . . . 0.0 111.334 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 18.9 ptpt -73.71 -39.1 64.58 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.27 -40.67 96.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.884 0.373 . . . . 0.0 110.255 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.6 mt -67.29 -32.26 73.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.8 t -73.83 -31.79 63.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.804 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 31.8 mtp180 -83.1 -34.46 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.819 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -115.62 152.96 32.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 38.8 t -79.67 116.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.89 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.9 111.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.022 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -108.13 -21.9 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 16.4 p -72.52 -45.46 59.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.489 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 528' ' ' PRO . 4.0 m -122.71 137.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.364 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -113.99 175.22 5.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.528 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.53 -32.4 40.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.3 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.55 -29.63 69.26 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 44.8 m80 -75.06 -11.21 60.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.656 0.741 . . . . 0.0 110.571 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.576 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.1 m-85 -107.71 125.25 51.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.366 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 34.4 t -135.96 134.66 38.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.8 m-85 -105.23 -2.42 24.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.816 -175.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 43.6 m -61.91 118.24 36.87 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' PRO . . . . . 0.464 ' HB2' HD12 ' A' ' 621' ' ' ILE . 84.2 Cg_endo -75.52 11.13 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.786 2.324 . . . . 0.0 112.001 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -100.85 2.33 40.92 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.712 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.5 tpp -95.36 103.71 13.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.815 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.407 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 91.5 Cg_endo -81.52 67.09 8.51 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.869 2.379 . . . . 0.0 112.691 -175.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 589' ' ' MET . 63.7 t -105.29 -71.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -173.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.84 -105.15 0.92 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.647 -1.263 . . . . 0.0 112.345 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.409 0.624 . . . . 0.0 110.733 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.417 ' HB2' HG12 ' A' ' 614' ' ' ILE . 12.9 m-85 -122.03 132.29 54.44 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.425 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -130.32 154.55 47.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.59 129.51 37.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -74.44 125.16 27.95 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -133.32 158.89 41.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.33 -175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.82 140.69 32.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.835 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.576 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.7 p -133.5 164.21 45.61 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.089 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 21.5 Cg_endo -61.03 -11.51 18.75 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.775 2.317 . . . . 0.0 112.664 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.576 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.2 pt-20 -101.83 -14.56 17.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.52 -169.45 24.32 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.84 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.41 120.69 27.16 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.929 -0.635 . . . . 0.0 110.506 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.525 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.8 pt20 -137.78 150.7 47.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.083 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -89.22 111.58 22.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 23.1 t -93.01 127.42 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.159 0.504 . . . . 0.0 110.218 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.34 135.25 44.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.809 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.65 142.62 27.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.6 m -82.55 165.36 20.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -66.89 -37.6 84.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.08 -27.08 33.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.5 mt -47.15 -58.94 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 33.0 Cg_endo -64.42 -27.57 62.72 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.247 1.965 . . . . 0.0 112.289 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 -39.83 92.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.292 0.568 . . . . 0.0 109.7 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.3 mpt_? -72.63 -39.07 67.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.674 176.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' A' ' 622' ' ' THR . 58.6 mt -56.84 -38.23 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.014 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.6 mm-40 -59.68 -35.09 73.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.946 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.5 -43.97 25.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 587' ' ' PRO . 36.9 pt -84.59 -1.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.137 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.3 t -63.71 -17.74 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 111.281 -176.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 118.92 69.49 0.33 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.8 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.107 -179.178 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -85.77 148.4 25.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -137.9 123.0 19.16 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.247 0.546 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.3 mt -90.74 137.61 21.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.185 0.517 . . . . 0.0 111.078 -175.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.02 145.19 30.11 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.776 173.702 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.24 -42.56 59.22 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.5 2.134 . . . . 0.0 111.794 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.1 -42.65 81.17 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.109 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.2 mm-40 -72.75 -28.95 62.93 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 111.495 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.738 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.2 t -74.57 -32.9 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 4.4 ptm180 -78.84 -16.43 57.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.255 -0.278 . . . . 0.0 111.019 175.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.76 -53.91 37.21 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 122.822 0.449 . . . . 0.0 111.928 179.13 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.5 Cg_endo -59.97 -30.0 90.66 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.2 1.934 . . . . 0.0 112.321 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 52.5 mt -65.99 -24.44 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.249 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 8.6 mt-30 -84.11 -17.6 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.634 -177.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -101.19 -21.78 14.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.75 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' GLY . . . . . 0.476 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 149.62 -25.21 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.943 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.558 ' O ' ' HD2' ' A' ' 534' ' ' ARG . 66.0 m95 -63.23 157.19 23.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 533' ' ' TRP . 3.2 mpt_? -127.91 159.14 35.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 174.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.651 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.4 ttt180 -146.38 118.64 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.535 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -119.26 141.52 48.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.664 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.9 t -116.79 122.17 69.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.168 0.509 . . . . 0.0 110.158 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -104.94 120.59 41.82 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.912 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mt -114.39 123.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.329 0.585 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.35 146.64 51.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.006 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 47.3 tptt -79.79 129.09 34.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.986 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -100.77 169.53 21.24 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.87 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 51.9 m -64.96 -23.72 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -107.46 -59.24 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.047 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -135.14 -179.99 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.88 0.848 . . . . 0.0 111.974 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.3 m95 -86.25 124.19 32.35 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.246 170.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -128.39 148.93 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.967 0.889 . . . . 0.0 112.168 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -135.9 151.87 20.84 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.912 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.62 148.02 45.47 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.498 0.665 . . . . 0.0 110.337 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 59.5 m -107.01 125.36 50.91 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.955 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -109.05 148.44 30.79 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.712 0.768 . . . . 0.0 110.741 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.651 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.9 m-85 -131.36 152.05 50.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.957 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.9 129.5 34.46 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.05 135.68 37.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.178 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' PRO . . . . . 0.476 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 63.9 Cg_endo -74.37 -7.01 19.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.998 2.465 . . . . 0.0 112.354 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 10.3 p -143.95 7.3 1.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.116 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -147.79 4.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.757 -1.211 . . . . 0.0 113.518 -169.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -176.49 3.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.99 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.2 OUTLIER -118.01 143.18 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.105 0.478 . . . . 0.0 110.589 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -130.98 147.82 52.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.697 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -140.63 13.36 2.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.754 0.788 . . . . 0.0 110.004 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.448 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.0 mm100 -120.35 145.21 47.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.242 173.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.6 t80 -56.96 -49.65 92.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.454 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.581 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 36.0 Cg_endo -64.2 -15.41 49.32 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.21 1.94 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 37.7 mm-40 -86.54 -26.59 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.269 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 41.8 t -78.4 -43.45 26.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.791 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -57.72 -33.23 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 121.086 0.469 . . . . 0.0 111.308 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.0 ptpt -74.0 -37.37 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.275 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -61.97 -42.09 98.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.479 . . . . 0.0 109.903 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 21.9 mt -66.78 -34.41 77.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.8 t -73.34 -37.91 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.033 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 19.8 mtp180 -73.78 -30.6 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.63 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -115.52 176.7 4.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.32 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 63.2 t -99.82 116.37 42.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 54.4 t -145.19 108.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.91 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -106.54 -27.85 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.082 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 m -68.93 -43.95 74.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.895 0.378 . . . . 0.0 111.609 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.403 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.3 m -121.03 138.95 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.437 0.637 . . . . 0.0 112.596 -178.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.404 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 25.8 mmt180 -112.54 172.64 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.667 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.565 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -51.4 -33.44 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.423 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 11.9 pt-20 -60.96 -28.83 69.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.505 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 49.7 m80 -73.46 -11.65 60.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.0 110.71 -177.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.562 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 54.8 m-85 -107.72 123.73 48.96 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.207 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 73.3 p -135.54 133.82 38.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.505 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 65.3 m-85 -103.44 -0.45 29.96 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.379 -176.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 14.9 m -61.15 115.8 16.09 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.645 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.96 10.53 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.81 2.34 . . . . 0.0 112.072 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.417 ' HG2' HG23 ' A' ' 618' ' ' ILE . 57.2 mtp180 -96.58 -0.76 48.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.7 tpp -99.31 104.38 26.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.514 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.9 Cg_endo -80.99 74.95 5.3 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.89 2.393 . . . . 0.0 112.259 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.1 t -108.52 -69.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -89.78 -104.94 1.16 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.503 -1.332 . . . . 0.0 112.383 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.25 140.44 49.55 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.384 0.612 . . . . 0.0 110.999 -175.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.9 m-85 -121.49 132.15 54.55 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.285 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.64 154.21 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.42 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.414 ' CD ' ' HE ' ' A' ' 617' ' ' ARG . 39.6 tt0 -136.09 129.83 32.46 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.23 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 125.87 29.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 109.93 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -132.97 158.7 42.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.918 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.97 137.58 36.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.724 0.774 . . . . 0.0 111.066 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.561 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 17.4 p -129.44 164.67 38.08 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 114.728 -1.124 . . . . 0.0 108.981 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 29.4 Cg_endo -63.32 -11.56 26.12 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.447 2.098 . . . . 0.0 112.434 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.55 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.0 pt-20 -100.46 -15.1 18.01 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.915 0.388 . . . . 0.0 110.501 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.0 -166.38 25.17 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.649 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.75 120.96 27.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.361 0.601 . . . . 0.0 110.406 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.51 ' CD ' HG21 ' A' ' 600' ' ' THR . 11.8 pt20 -136.2 150.8 49.16 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.249 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -87.92 110.56 20.64 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.6 t -92.65 127.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.314 0.578 . . . . 0.0 110.656 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -74.48 134.89 42.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.045 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 596' ' ' GLU . 29.6 mt -95.46 143.09 27.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -178.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 8.2 m -81.28 167.02 19.99 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.36 -34.19 56.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.058 0.224 . . . . 0.0 111.474 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.91 -25.41 52.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.613 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.05 -28.91 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.143 0.497 . . . . 0.0 110.28 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.4 mt -48.39 -58.68 7.55 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.244 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 29.4 Cg_endo -62.84 -29.08 76.2 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.318 2.012 . . . . 0.0 112.378 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 31.9 t -66.11 -39.53 90.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 109.511 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.414 ' HE ' ' CD ' ' A' ' 596' ' ' GLU . 7.6 mpt_? -72.47 -39.49 67.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.979 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.499 ' O ' ' HB ' ' A' ' 622' ' ' THR . 64.0 mt -57.31 -38.39 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.106 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -63.18 -33.99 76.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.838 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.28 45.1 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.925 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 34.9 pt -78.04 -4.74 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 619' ' ' GLN . 1.0 OUTLIER -74.34 -18.9 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.941 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -145.56 -81.2 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.102 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.543 -175.823 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -91.07 179.98 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.18 117.79 34.89 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.7 mt -96.36 140.36 17.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -88.71 144.86 25.99 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.402 0.62 . . . . 0.0 110.977 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -103.19 149.41 36.9 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.447 171.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.09 -43.19 54.58 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.284 1.989 . . . . 0.0 111.723 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.408 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.2 pt-20 -56.26 -42.19 77.03 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.002 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 17.8 mm-40 -70.83 -33.28 70.52 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 111.062 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.777 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -74.43 -31.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.0 0.429 . . . . 0.0 111.193 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.55 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.0 ptm180 -78.64 -16.45 57.33 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.078 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.22 -49.98 66.81 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 122.424 0.29 . . . . 0.0 111.441 178.319 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.595 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -55.7 -37.97 94.84 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.481 2.12 . . . . 0.0 112.252 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 56.5 mt -65.83 -24.27 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 16.0 mt-30 -88.85 -7.85 55.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.596 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -112.89 -21.13 11.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.99 -27.37 0.91 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.253 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.46 163.49 15.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -130.53 157.51 42.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.626 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 2.1 ttt180 -146.69 119.03 8.37 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.773 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -118.84 141.84 48.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.627 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.79 122.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.129 0.49 . . . . 0.0 110.186 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ARG . . . . . 0.459 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.59 120.53 41.51 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.919 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.6 mt -113.49 122.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.383 0.611 . . . . 0.0 110.669 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -127.53 146.46 50.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.93 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.555 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -80.46 129.89 34.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.401 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.95 162.22 15.49 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.659 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 17.5 m -67.47 -20.03 65.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.896 0.379 . . . . 0.0 110.682 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.53 -49.4 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -153.22 -178.76 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.868 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.555 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.2 m95 -86.32 125.65 33.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.887 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -127.57 159.7 33.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 111.588 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.4 151.22 23.45 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.123 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -135.25 146.8 48.94 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.476 0.655 . . . . 0.0 110.288 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.2 m -108.18 125.58 51.8 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.743 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -108.54 146.95 32.48 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.792 0.806 . . . . 0.0 110.515 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.8 OUTLIER -131.94 149.57 52.4 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.807 178.06 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.25 128.5 34.0 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.9 132.19 26.19 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.84 -6.34 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.605 2.203 . . . . 0.0 112.299 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -138.55 5.39 2.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.158 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.35 -142.43 3.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.101 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.423 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -79.83 -176.3 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.449 -0.375 . . . . 0.0 111.145 -176.657 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -117.14 140.96 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.16 0.505 . . . . 0.0 110.391 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.557 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.76 144.83 51.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.61 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.91 8.24 2.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.676 0.75 . . . . 0.0 110.281 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.433 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.8 mm100 -115.69 146.07 42.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.989 172.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.2 t80 -56.79 -48.51 97.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.174 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.593 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 29.5 Cg_endo -62.26 -15.43 44.52 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.492 2.128 . . . . 0.0 112.693 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.557 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 43.5 mt-10 -83.71 -28.91 27.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.146 0.498 . . . . 0.0 111.127 175.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 58.4 t -78.83 -43.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.593 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.648 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -58.2 -32.98 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.497 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.9 ptpt -74.05 -38.78 63.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 178.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -63.34 -42.6 98.96 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.8 mt -66.73 -33.19 75.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.476 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -73.26 -44.54 59.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.838 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -70.43 -37.65 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.373 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -103.97 -179.69 4.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 44.6 t -106.83 116.35 50.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.6 t -146.87 118.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -121.51 -21.27 6.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 m -68.82 -41.63 78.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.146 0.498 . . . . 0.0 110.292 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 528' ' ' PRO . 14.0 m -121.35 138.67 50.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.739 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -113.36 175.82 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.507 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.82 -32.09 51.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -177.798 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.01 -26.47 68.26 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.53 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.1 m80 -76.0 -11.39 59.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.575 0.702 . . . . 0.0 110.471 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 71.3 m-85 -106.91 124.96 50.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.449 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.3 t -135.9 132.51 36.61 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 58.7 m-85 -104.13 2.73 32.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 18.9 m -61.62 115.67 16.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.63 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.32 10.3 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.894 2.396 . . . . 0.0 111.949 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -98.54 -0.19 43.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.834 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -98.02 104.72 23.69 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.201 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.432 ' HB3' HG21 ' A' ' 614' ' ' ILE . 87.3 Cg_endo -80.4 68.28 8.36 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 123.14 2.56 . . . . 0.0 112.775 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.834 HG23 ' HG3' ' A' ' 589' ' ' MET . 77.2 t -101.17 -70.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -96.61 -109.37 2.57 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.698 -1.239 . . . . 0.0 112.502 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 5.3 m-20 -103.45 137.17 41.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 -175.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -122.93 132.08 54.01 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.057 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 23.3 m-85 -129.86 153.69 48.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.615 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' A' ' 609' ' ' LEU . 40.3 tt0 -132.16 126.66 34.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.98 124.42 26.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.039 0.447 . . . . 0.0 110.074 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 599' ' ' ASP . 76.1 ttt180 -131.48 158.63 40.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.475 -173.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 598' ' ' ARG . 8.8 p-10 -97.07 137.03 36.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.669 0.747 . . . . 0.0 111.384 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 19.0 p -129.69 164.57 39.14 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.982 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.8 Cg_endo -62.37 -10.56 19.17 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.611 2.207 . . . . 0.0 112.693 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.0 pt-20 -102.06 -12.68 17.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.101 0.476 . . . . 0.0 110.26 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 134.01 -162.26 24.46 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.549 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.54 126.99 35.25 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.545 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -141.69 152.97 44.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.524 176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 74.4 m95 -85.77 111.6 20.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 124.24 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.234 0.54 . . . . 0.0 110.503 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -73.53 135.28 43.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.346 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.2 mt -96.36 143.51 27.34 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.6 m -79.07 164.76 24.05 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 174.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.63 -33.41 46.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -79.78 -24.18 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.708 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -82.03 -27.05 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.077 0.465 . . . . 0.0 110.552 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 611' ' ' ALA . 46.1 mt -47.4 -59.02 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.012 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.98 -29.66 82.21 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.49 2.127 . . . . 0.0 112.795 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.0 m -66.2 -39.34 89.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.197 0.522 . . . . 0.0 109.94 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.49 -38.92 68.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.806 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.8 mt -56.64 -39.03 60.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.861 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.8 mm-40 -59.78 -34.86 73.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.62 39.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.6 pt -78.64 -2.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 619' ' ' GLN . 1.0 OUTLIER -73.52 -29.56 62.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.279 179.037 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -167.13 -92.84 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.658 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.148 -176.933 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.813 0.34 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.74 154.09 24.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -111.14 115.19 28.98 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.8 mt -91.3 142.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.948 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -87.89 142.22 27.97 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.352 0.596 . . . . 0.0 110.82 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.53 149.77 37.78 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.333 172.087 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -51.53 -43.46 50.11 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.313 2.009 . . . . 0.0 112.283 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.57 -42.41 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -71.22 -33.96 70.37 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.644 ' HB ' HG21 ' A' ' 591' ' ' VAL . 76.2 t -74.45 -30.77 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 111.029 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 10.6 ptp180 -81.85 -15.0 55.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.676 175.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.29 -50.21 71.98 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.468 0.307 . . . . 0.0 110.973 177.264 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 48.4 Cg_exo -56.98 -37.84 97.48 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.307 2.004 . . . . 0.0 112.167 174.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 61.6 mt -65.31 -20.05 66.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 8.9 mt-30 -84.94 -28.48 25.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.034 0.445 . . . . 0.0 110.655 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -93.25 -24.59 18.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.294 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.81 -23.2 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.084 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.516 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 59.0 m95 -66.57 156.13 35.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 0.0 110.419 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -125.72 157.68 36.76 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.5 ttt180 -146.83 118.47 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.637 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.25 141.96 47.65 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.871 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.92 122.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.103 0.478 . . . . 0.0 110.196 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.15 118.9 37.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.219 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.4 mt -112.03 123.3 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -131.16 145.58 52.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.895 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 49.6 tptt -75.58 120.71 21.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.52 169.31 25.92 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.568 -172.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.6 t -68.06 -22.56 64.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.168 0.509 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -105.67 -51.44 3.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.6 -169.8 3.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.412 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 48.5 m95 -83.35 124.55 30.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -125.16 160.42 29.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.663 0.744 . . . . 0.0 111.803 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.43 151.44 23.69 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.433 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.1 147.92 39.31 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.514 0.674 . . . . 0.0 110.67 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.467 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -109.11 126.45 53.21 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.212 -177.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -109.24 147.84 31.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.614 0.721 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.655 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.2 m-85 -131.75 154.92 48.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.136 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -136.09 132.0 35.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.88 131.69 21.19 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.315 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.93 -6.87 19.78 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.758 2.305 . . . . 0.0 112.424 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 29.8 m -136.61 4.16 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.323 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -160.22 -142.54 3.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.046 -171.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -73.25 -177.69 2.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.279 -0.461 . . . . 0.0 110.854 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.424 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -124.15 143.72 50.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.329 0.585 . . . . 0.0 110.567 177.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.45 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.6 mpp? -128.35 148.82 50.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.998 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.34 12.27 3.02 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 176.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -119.0 144.79 46.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.572 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.736 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.4 t80 -57.47 -50.25 89.24 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.514 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.6 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 30.4 Cg_endo -62.55 -17.16 56.84 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.505 2.137 . . . . 0.0 112.741 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -85.53 -26.24 26.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.249 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 56.0 t -78.35 -43.37 26.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.736 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.9 mm -57.76 -33.65 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 111.378 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 16.3 ptpt -74.79 -36.98 62.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.01 -41.83 99.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.0 mt -68.37 -36.84 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.057 -178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 47.8 m -72.53 -43.4 63.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.147 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.58 -27.89 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.856 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -114.73 -177.06 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.127 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 77.2 t -107.4 117.74 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.01 0.433 . . . . 0.0 111.022 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.71 138.24 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.89 -32.72 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.731 0.3 . . . . 0.0 111.497 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 35.5 p -69.87 -41.29 75.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.5 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.74 133.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.958 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 579' ' ' ARG . 17.6 mmm180 -114.0 176.52 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.9 -31.68 41.13 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.711 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.47 -26.33 67.82 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 43.8 m80 -79.25 -11.4 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.418 0.628 . . . . 0.0 110.804 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.563 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 58.6 m-85 -105.74 127.33 53.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.465 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.8 t -135.09 133.1 38.93 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.32 -4.3 20.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.817 0.341 . . . . 0.0 111.577 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 23.2 m -61.45 118.24 35.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.7 173.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.07 10.08 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.881 2.387 . . . . 0.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 618' ' ' ILE . 60.7 mtm180 -99.13 2.06 45.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.749 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.1 tpp -95.37 102.72 10.35 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.131 175.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 614' ' ' ILE . 78.4 Cg_endo -81.25 69.3 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.771 2.314 . . . . 0.0 112.618 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.749 HG23 ' HG3' ' A' ' 589' ' ' MET . 73.7 t -106.45 -70.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.14 -106.05 1.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 119.534 -1.317 . . . . 0.0 112.547 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -111.03 138.43 47.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.296 0.57 . . . . 0.0 110.803 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.0 m-85 -122.07 132.47 54.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.275 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.71 154.71 47.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.597 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -131.18 127.76 38.62 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.73 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -75.48 124.02 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -132.61 158.14 42.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.08 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.8 136.43 37.35 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.36 0.6 . . . . 0.0 110.811 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.0 p -130.13 164.0 43.8 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.328 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.9 Cg_endo -61.05 -12.79 24.29 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.829 2.353 . . . . 0.0 112.779 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.2 pt-20 -100.06 -17.61 17.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.004 0.43 . . . . 0.0 110.402 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.58 -168.68 24.88 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.164 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.49 123.43 29.72 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -138.58 150.97 46.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.098 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -88.99 110.64 21.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.63 126.47 45.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -74.26 135.33 42.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.048 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.68 144.05 25.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.3 m -80.19 164.16 23.49 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.11 -32.31 46.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.209 0.318 . . . . 0.0 111.655 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.89 -31.95 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.374 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.42 ' HB3' ' NH1' ' A' ' 617' ' ' ARG . 31.9 mm-40 -82.05 -27.05 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.5 mt -46.46 -58.78 6.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 28.9 Cg_endo -62.24 -28.48 79.24 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.553 2.169 . . . . 0.0 112.692 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.7 m -67.36 -39.22 85.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.0 0.429 . . . . 0.0 110.373 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 613' ' ' GLU . 9.1 mpt_? -72.45 -38.51 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.56 ' O ' ' HB ' ' A' ' 622' ' ' THR . 58.2 mt -56.83 -38.88 61.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.48 -34.44 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.04 -44.71 37.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.0 111.025 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 37.3 pt -83.3 -2.88 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.567 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -77.78 -13.96 59.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.145 0.498 . . . . 0.0 110.093 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 121.52 42.76 0.45 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.94 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.352 -0.833 . . . . 0.0 109.759 -179.082 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 581' ' ' GLU . 6.9 tmm_? -88.26 110.16 20.51 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.4 mt -96.76 147.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.072 -173.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.401 ' HB2' ' NH1' ' A' ' 518' ' ' ARG . . . -114.26 150.09 34.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.919 0.39 . . . . 0.0 111.371 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -103.31 146.28 32.17 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.398 172.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.39 -43.59 56.18 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.537 2.158 . . . . 0.0 112.14 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.44 -43.3 71.49 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.411 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 13.2 mm-40 -72.02 -33.09 67.77 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.712 177.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 591' ' ' VAL . 72.2 t -71.55 -31.78 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -80.79 -15.43 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.311 175.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.53 -49.04 80.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 122.406 0.282 . . . . 0.0 111.378 178.396 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.558 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -56.43 -37.72 96.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.378 2.052 . . . . 0.0 112.422 175.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.9 mt -64.16 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 530' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 12.2 mt-30 -77.61 -20.63 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -101.18 -26.14 13.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.79 -29.09 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.71 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 57.8 m95 -61.62 159.38 13.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -128.63 159.04 36.83 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.743 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.3 tmt_? -146.33 117.73 7.95 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.191 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -118.57 140.9 49.16 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.456 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.32 122.19 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.07 0.462 . . . . 0.0 110.027 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -104.42 120.35 41.03 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.89 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.5 mt -115.1 123.69 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 121.421 0.629 . . . . 0.0 110.944 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -131.44 149.26 52.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.17 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 28.4 tptp -74.91 121.68 22.25 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.78 166.85 23.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.974 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.5 m -70.29 -19.71 63.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.136 0.493 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.78 -50.07 3.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.544 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -153.11 -174.95 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.284 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' TRP . . . . . 0.465 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 40.6 m95 -84.29 124.63 31.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.97 147.2 50.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.968 0.89 . . . . 0.0 112.056 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -133.96 151.18 20.15 Favored Glycine 0 N--CA 1.439 -1.144 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.397 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.59 148.33 40.78 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.571 0.7 . . . . 0.0 110.43 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.0 m -105.92 125.96 51.62 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.893 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -109.68 147.8 32.49 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.7 0.762 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.743 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 17.8 m-85 -130.68 151.73 50.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.832 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -134.63 128.81 33.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.94 133.84 25.03 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.523 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.69 -6.42 18.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.48 2.12 . . . . 0.0 112.381 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.76 6.71 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.298 -176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.77 -143.2 3.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.949 -1.12 . . . . 0.0 113.333 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' LYS . . . . . 0.43 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.2 OUTLIER -79.56 -175.93 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.41 -0.395 . . . . 0.0 111.228 -176.303 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.445 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -115.62 138.75 50.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.222 0.534 . . . . 0.0 110.252 177.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 560' ' ' MET . . . . . 0.475 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -124.15 144.62 49.8 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.08 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -139.77 10.26 2.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.777 0.798 . . . . 0.0 110.393 177.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.465 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.6 mm100 -119.15 145.51 45.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.384 173.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.7 t80 -53.42 -49.37 88.74 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.363 176.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.2 Cg_endo -64.56 -14.54 45.03 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.463 2.109 . . . . 0.0 113.026 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 51.4 mt-10 -83.54 -28.9 28.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.113 0.482 . . . . 0.0 111.281 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.51 -42.62 26.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.991 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -59.57 -33.04 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.7 ptpt -74.22 -38.15 63.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.028 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.09 -42.23 97.01 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.6 mt -64.66 -36.04 82.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.875 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.5 t -73.94 -43.77 57.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.68 -20.73 60.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.791 -175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.65 175.22 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.95 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.14 116.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.3 117.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.546 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -115.65 -28.28 6.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 111.076 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.6 m -70.24 -40.84 74.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.264 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 528' ' ' PRO . 10.1 m -121.69 135.46 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.383 0.611 . . . . 0.0 112.132 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -114.14 175.94 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.36 -32.19 48.07 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 581' ' ' GLU . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 518' ' ' ARG . 10.3 pt-20 -61.46 -23.64 66.0 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.9 m80 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.332 0.587 . . . . 0.0 110.602 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.591 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 62.8 m-85 -107.0 127.22 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.79 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 35.0 t -135.78 133.37 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -105.55 -5.5 20.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 49.9 m -61.67 119.55 48.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 621' ' ' ILE . 92.2 Cg_endo -75.14 10.68 1.68 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.062 2.508 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -100.37 2.34 42.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.684 0.754 . . . . 0.0 109.213 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.722 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.9 tpp -95.81 104.79 17.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.074 176.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.4 Cg_endo -81.68 66.67 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.076 2.517 . . . . 0.0 112.678 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 589' ' ' MET . 68.0 t -104.97 -72.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.22 -104.05 0.85 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.572 -1.299 . . . . 0.0 112.289 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.98 138.82 52.54 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.304 0.573 . . . . 0.0 110.565 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.9 132.45 54.97 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.276 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.25 153.84 48.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 110.528 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -133.0 126.4 31.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.24 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.82 123.91 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.128 0.49 . . . . 0.0 110.08 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -132.28 156.63 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.431 -173.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.02 133.92 44.8 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.318 0.58 . . . . 0.0 111.02 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.572 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.2 p -128.3 164.65 36.23 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.393 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 27.3 Cg_endo -61.81 -10.77 18.24 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.742 2.295 . . . . 0.0 112.729 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.572 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.4 pt-20 -101.75 -17.16 16.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 110.263 176.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.88 -166.11 25.74 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.625 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.9 mt -85.8 122.21 29.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.403 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.8 pt20 -136.57 150.09 48.42 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.252 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -87.61 110.54 20.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.25 126.81 45.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.3 0.571 . . . . 0.0 110.618 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.81 135.46 43.47 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.418 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.26 144.25 27.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.555 ' O ' HG13 ' A' ' 614' ' ' ILE . 18.0 p -78.95 168.37 19.79 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.22 -34.43 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.75 -28.95 50.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.322 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.96 -28.91 43.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.983 0.42 . . . . 0.0 110.567 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.7 mt -47.46 -58.4 7.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.305 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.499 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.6 Cg_endo -60.57 -31.22 92.02 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.746 2.298 . . . . 0.0 113.015 -175.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.2 t -66.38 -39.01 88.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -72.64 -39.23 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.931 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 622' ' ' THR . 62.5 mt -56.71 -38.43 57.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.2 mm-40 -60.23 -35.35 75.26 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.13 -44.6 46.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.078 0.466 . . . . 0.0 111.201 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.409 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.2 pt -85.79 -1.67 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.344 -176.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.2 t -69.85 -16.64 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.183 0.516 . . . . 0.0 110.551 -177.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 121.61 -121.81 4.9 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.409 -179.665 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -81.65 153.06 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.106 0.479 . . . . 0.0 110.667 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -111.6 121.56 45.47 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.2 137.11 27.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.118 -176.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -114.01 152.48 30.89 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.358 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -102.52 145.35 30.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.261 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 -43.28 58.57 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.65 2.233 . . . . 0.0 112.48 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.53 -40.59 75.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.499 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.3 mm-40 -72.04 -33.31 67.89 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.381 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' VAL . . . . . 0.602 ' HB ' HG21 ' A' ' 591' ' ' VAL . 80.0 t -72.91 -30.21 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 526' ' ' ARG . . . . . 0.521 ' HB3' HG13 ' A' ' 591' ' ' VAL . 13.2 ptp180 -82.08 -16.95 48.28 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.29 -0.257 . . . . 0.0 110.972 175.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.06 -53.95 33.41 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.605 0.362 . . . . 0.0 111.682 178.191 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 528' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.1 Cg_endo -60.28 -30.04 90.25 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.373 2.049 . . . . 0.0 112.602 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 38.9 mt -65.53 -21.28 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.347 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.3 -7.1 54.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -127.75 56.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 85.02 -47.88 3.94 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.881 . . . . 0.0 114.023 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' TRP . . . . . 0.477 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 75.0 m95 -58.9 156.44 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.0 111.866 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -131.32 160.92 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.753 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.1 tmt_? -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.466 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.71 141.05 48.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.622 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 66.1 t -117.9 123.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.193 0.52 . . . . 0.0 110.271 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -105.03 118.86 37.61 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.541 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 50.1 mt -110.07 123.47 66.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.27 0.557 . . . . 0.0 110.223 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.85 144.39 51.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.578 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -71.27 123.61 22.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -92.98 166.87 28.96 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.684 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.1 m -69.41 -24.7 63.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 110.677 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -109.01 -48.26 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' ARG . . . . . 0.427 HH12 ' HA2' ' A' ' 623' ' ' GLY . 50.6 mtp180 -147.87 -172.1 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.445 0.641 . . . . 0.0 111.437 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -85.68 125.36 33.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.841 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.14 159.76 33.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.389 0.614 . . . . 0.0 111.716 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -143.76 151.97 23.79 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.208 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.473 0.654 . . . . 0.0 110.151 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 44.2 m -108.49 125.68 52.07 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.881 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -109.34 148.01 31.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.787 0.803 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' TYR . . . . . 0.753 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 15.5 m-85 -130.74 153.51 48.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.333 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -135.56 129.9 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.363 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.3 130.83 24.29 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.76 -7.2 20.39 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.653 2.235 . . . . 0.0 112.595 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 73.8 m -139.23 6.57 2.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.956 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.4 -142.62 3.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.802 -1.189 . . . . 0.0 113.174 -170.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -176.4 5.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.153 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.32 54.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.303 0.573 . . . . 0.0 110.673 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -123.4 147.26 47.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 8.16 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.587 0.708 . . . . 0.0 109.396 175.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -120.36 145.7 46.89 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.857 177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.1 t80 -56.18 -50.71 85.94 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.06 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 45.6 Cg_endo -66.34 -12.12 34.3 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.196 1.931 . . . . 0.0 112.365 -178.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -87.13 -26.57 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 111.361 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 49.0 t -77.89 -45.24 28.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.688 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.8 mm -58.15 -32.29 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.9 ptpt -74.05 -37.34 64.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.862 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.83 -40.68 97.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.415 . . . . 0.0 109.941 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.6 mt -66.52 -34.71 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.4 t -72.95 -43.65 62.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 52.0 mtp85 -73.68 -19.72 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 -175.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -121.93 -175.53 3.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.3 t -114.48 118.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.08 120.03 28.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -109.77 -34.79 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.465 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 37.5 m -71.44 -42.88 67.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.441 HG11 ' CA ' ' A' ' 528' ' ' PRO . 13.4 m -121.41 138.33 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -113.15 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' ARG . . . . . 0.474 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.31 -32.15 55.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.5 -29.38 66.22 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' HIS . . . . . 0.517 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.1 m80 -76.02 -11.54 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.308 0.575 . . . . 0.0 110.957 -177.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' PHE . . . . . 0.459 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 44.1 m-85 -106.1 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.455 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 42.4 t -135.3 132.72 38.07 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' PHE . . . . . 0.416 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -103.18 -4.62 24.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.661 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 15.1 m -61.93 116.68 22.88 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.76 10.49 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.95 2.434 . . . . 0.0 112.204 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -100.82 3.14 41.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' MET . . . . . 0.771 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -100.11 101.31 13.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.055 174.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' PRO . . . . . 0.608 ' HB3' HG21 ' A' ' 614' ' ' ILE . 96.5 Cg_endo -79.45 74.14 5.69 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.753 2.302 . . . . 0.0 112.482 -177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.771 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.6 t -109.14 -69.29 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -91.25 -102.5 1.29 Allowed Glycine 0 CA--C 1.506 -0.511 0 C-N-CA 119.482 -1.342 . . . . 0.0 112.73 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 22.9 m-20 -111.3 135.61 51.59 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -122.36 131.52 53.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.989 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 16.7 m-85 -131.5 154.92 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 4.4 pt-20 -131.63 131.21 43.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.78 122.96 24.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -134.51 158.29 44.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.6 -173.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -96.33 139.95 31.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.184 0.516 . . . . 0.0 110.835 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' THR . . . . . 0.56 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.3 p -135.25 163.18 52.86 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.477 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.61 -11.36 19.96 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.027 2.484 . . . . 0.0 112.831 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.56 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.3 pt-20 -101.26 -16.89 16.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.604 175.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.47 -172.16 23.14 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.558 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.9 mt -78.69 119.35 21.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.408 0.623 . . . . 0.0 110.712 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.2 pt20 -136.0 150.76 49.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.876 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -89.36 111.11 21.87 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.9 t -92.64 130.28 41.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.163 0.506 . . . . 0.0 110.23 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -73.74 135.14 43.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.747 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 56.2 mt -94.18 142.31 27.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.528 ' O ' HG13 ' A' ' 614' ' ' ILE . 8.8 p -78.98 166.75 22.01 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.89 -35.52 45.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.48 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.98 -29.2 55.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.471 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 39.7 mt-10 -78.32 -32.64 49.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.484 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 590' ' ' PRO . 52.5 mt -46.9 -58.37 7.16 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.107 -0.952 . . . . 0.0 113.161 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 22.6 Cg_endo -61.08 -29.46 87.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.573 2.182 . . . . 0.0 112.695 -176.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 36.9 t -65.98 -40.12 90.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.15 -39.31 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.539 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 614' ' ' ILE . 60.4 mt -56.67 -42.29 76.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.1 mm-40 -56.27 -33.89 65.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.03 -42.28 21.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.934 0.397 . . . . 0.0 110.747 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 618' ' ' ILE . 34.6 pt -75.97 -9.15 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.448 0.642 . . . . 0.0 109.885 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 123.69 26.96 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.499 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.427 ' HA2' HH12 ' A' ' 545' ' ' ARG . . . -74.16 -72.87 0.97 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.458 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.258 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 121.071 0.462 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.478 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.6 OUTLIER -98.4 153.69 37.91 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.114 174.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.96 -40.74 75.1 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.484 2.123 . . . . 0.0 111.538 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.0 pt-20 -59.32 -39.53 83.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.609 178.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -71.15 -33.49 70.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.252 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.747 ' HB ' HG21 ' A' ' 591' ' ' VAL . 83.8 t -74.98 -30.05 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 7.9 ptm180 -79.95 -15.61 56.92 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.215 -0.303 . . . . 0.0 110.843 174.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.95 -50.3 69.38 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 122.565 0.346 . . . . 0.0 111.081 176.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.7 Cg_exo -55.61 -38.97 93.63 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.468 2.112 . . . . 0.0 112.256 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 59.4 mt -65.67 -25.83 67.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.47 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 58.7 mt-30 -77.79 -24.48 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.636 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -101.12 -25.58 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.09 -24.61 0.61 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 119.756 -1.212 . . . . 0.0 113.31 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 52.2 m95 -68.61 159.45 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.688 0.28 . . . . 0.0 110.366 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -133.96 157.05 47.02 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.533 ' CZ ' ' H ' ' A' ' 592' ' ' GLY . 0.0 OUTLIER -147.21 121.75 9.76 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 121.452 0.644 . . . . 0.0 111.184 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -115.46 142.56 46.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.251 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.487 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 91.5 t -117.6 123.28 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.335 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.41 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 22.6 mmt180 -102.39 120.07 39.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.023 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 621' ' ' ILE . 43.0 mt -113.63 122.76 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.454 0.645 . . . . 0.0 110.427 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -128.92 146.06 51.05 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.78 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.521 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -78.43 125.0 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.224 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.23 168.48 28.45 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.539 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -71.54 -22.56 61.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 110.272 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -108.62 -52.56 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -139.78 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.067 -168.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.9 m95 -83.0 125.0 30.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.262 173.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.81 161.23 29.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.602 0.715 . . . . 0.0 111.959 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -155.33 151.35 22.94 Favored Glycine 0 N--CA 1.439 -1.123 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.95 149.91 45.29 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.778 0.799 . . . . 0.0 111.082 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.534 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 76.3 m -106.51 126.67 52.55 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.734 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -108.97 149.25 29.49 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.0 152.01 51.39 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.717 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -134.56 129.16 34.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.351 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.85 131.13 25.64 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.479 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.46 -7.24 20.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.541 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 38.3 t -140.63 5.78 2.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.582 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.47 -146.0 4.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.282 -170.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -175.87 3.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.149 -0.526 . . . . 0.0 111.164 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.12 142.21 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.21 0.529 . . . . 0.0 110.714 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.522 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.5 mpp? -127.04 147.62 50.14 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.966 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 6.38 2.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.575 0.702 . . . . 0.0 110.014 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.0 mm100 -113.75 145.68 41.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.9 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -57.29 -49.22 95.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.327 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 38.0 Cg_endo -64.47 -13.92 41.3 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.387 2.058 . . . . 0.0 112.678 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.522 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 37.1 mt-10 -83.48 -28.14 28.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 111.18 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.558 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 60.0 t -79.02 -44.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.637 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.693 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.92 -33.64 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.208 0.528 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -73.83 -37.42 64.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.722 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -62.47 -41.76 99.01 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.9 mt -66.89 -38.11 85.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.354 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -72.05 -29.85 64.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.309 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -86.93 -36.01 18.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.637 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -108.53 169.98 8.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.98 116.81 33.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.998 0.428 . . . . 0.0 109.998 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.53 127.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -128.3 -22.43 3.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.338 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 23.8 p -73.43 -44.28 58.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 111.077 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.46 136.3 59.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.161 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -113.93 176.92 4.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -53.48 -32.04 48.43 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.99 -29.7 69.84 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 46.6 m80 -73.73 -10.94 60.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.682 0.753 . . . . 0.0 110.503 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 61.9 m-85 -107.89 125.44 51.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.592 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 31.0 m -136.75 132.88 35.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.534 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.5 m-85 -103.23 0.87 32.21 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.69 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 35.2 m -61.14 119.69 47.91 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 173.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . 0.515 ' HB2' HD12 ' A' ' 621' ' ' ILE . 96.7 Cg_endo -74.2 10.17 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.688 2.259 . . . . 0.0 112.125 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 58.1 mtm180 -99.14 1.59 45.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.736 ' HG3' HG23 ' A' ' 591' ' ' VAL . 59.0 tpp -92.98 105.04 13.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 84.1 Cg_endo -82.3 60.76 7.49 Favored 'Trans proline' 0 N--CA 1.466 -0.118 0 C-N-CA 123.315 2.677 . . . . 0.0 113.043 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.747 HG21 ' HB ' ' A' ' 525' ' ' VAL . 80.9 t -101.77 -71.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . 0.533 ' H ' ' CZ ' ' A' ' 535' ' ' ARG . . . -92.4 -115.9 2.25 Favored Glycine 0 CA--C 1.504 -0.65 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.051 -174.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.25 139.21 39.0 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.444 0.64 . . . . 0.0 111.258 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 132.53 55.24 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.014 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.06 153.61 48.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.702 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -131.9 125.3 31.35 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.81 123.87 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.239 0.543 . . . . 0.0 109.839 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -134.98 157.32 47.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.417 -173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -100.23 136.87 39.46 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.551 0.691 . . . . 0.0 110.974 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.57 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.1 p -131.0 164.66 40.63 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.149 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.57 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.32 -11.45 19.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.63 2.22 . . . . 0.0 112.769 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.522 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.0 pt-20 -99.87 -17.89 17.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.496 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.74 -170.27 24.04 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.768 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.8 mt -80.74 120.93 25.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.23 0.538 . . . . 0.0 110.11 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.479 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.1 pt20 -135.43 149.31 49.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.67 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.4 m95 -87.52 110.79 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.39 128.6 44.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.459 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.51 135.61 42.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.458 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 32.5 mt -96.18 141.22 29.8 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 10.3 p -78.34 165.93 23.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.29 -35.67 38.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 122.597 0.359 . . . . 0.0 111.141 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.03 -32.61 69.41 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . 0.48 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 42.0 mt-10 -81.07 -28.91 35.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.906 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.5 mt -47.58 -58.87 6.56 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 30.3 Cg_endo -63.33 -27.38 71.55 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.396 2.064 . . . . 0.0 112.614 -175.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.5 m -67.93 -40.65 83.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 110.113 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.406 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.4 mpt_? -72.22 -39.07 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.809 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -56.23 -38.01 52.54 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.873 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 34.4 mm-40 -59.49 -34.85 73.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.07 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.24 27.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.4 pt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.322 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.4 OUTLIER -99.06 146.32 31.5 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.43 -41.98 63.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.71 -39.05 79.66 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.542 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.42 -32.84 66.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.624 ' HB ' HG21 ' A' ' 591' ' ' VAL . 75.7 t -72.79 -31.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 37.8 ptt180 -80.83 -15.95 55.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.718 175.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.512 HD22 HE21 ' A' ' 530' ' ' GLN . 0.2 OUTLIER -51.44 -49.22 83.56 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 122.621 0.369 . . . . 0.0 111.212 179.364 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.525 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.2 Cg_exo -55.52 -38.62 93.88 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.246 1.964 . . . . 0.0 111.993 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 26.4 mt -66.07 -23.1 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.245 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 28.7 mt-30 -87.3 -9.91 53.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 577' ' ' SER . 71.7 m-70 -108.74 -25.96 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.42 -22.89 1.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.006 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 45.9 m95 -67.23 161.41 24.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.634 0.254 . . . . 0.0 110.335 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.77 160.3 31.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.624 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.92 119.1 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.477 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -113.47 142.54 45.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.148 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.9 116.15 51.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -104.67 118.27 36.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.913 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 42.1 mt -112.25 123.24 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.45 0.643 . . . . 0.0 110.555 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -129.18 149.43 50.99 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.804 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.49 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -72.88 129.37 38.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -99.49 167.89 21.47 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.772 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.9 m -71.97 -15.76 62.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.1 -57.01 2.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -144.21 -169.68 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.149 0.499 . . . . 0.0 110.892 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.49 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 38.7 m95 -86.5 123.99 32.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.418 172.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -126.6 151.07 48.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.671 0.748 . . . . 0.0 112.098 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.18 21.62 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.896 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -137.93 148.21 45.07 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.279 0.561 . . . . 0.0 110.205 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.2 m -105.9 125.6 51.19 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.819 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -108.47 146.36 33.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.65 0.738 . . . . 0.0 110.297 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.624 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.6 m-85 -129.29 150.02 50.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.206 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -134.4 132.32 39.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -64.63 141.21 43.68 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.323 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -52.3 -29.91 40.36 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.131 2.554 . . . . 0.0 113.554 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 16.0 p -141.14 -22.77 0.76 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.635 0.255 . . . . 0.0 111.365 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -82.88 -147.53 7.0 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.731 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -79.58 -179.48 6.88 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.418 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.28 140.37 49.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.367 0.603 . . . . 0.0 110.828 -178.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -126.47 145.2 50.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.461 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 13.62 2.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.685 0.755 . . . . 0.0 109.992 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.1 mm100 -123.7 145.28 49.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.584 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.3 t80 -56.8 -50.49 87.71 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.553 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 39.0 Cg_endo -64.89 -15.07 48.54 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.246 1.964 . . . . 0.0 112.794 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 24.2 mm-40 -85.65 -26.6 25.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.205 0.526 . . . . 0.0 111.07 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.2 t -78.56 -42.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.2 mm -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 121.111 0.482 . . . . 0.0 111.398 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.6 ptpt -74.01 -37.18 64.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.206 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.15 -45.12 94.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.112 0.482 . . . . 0.0 109.863 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.1 mt -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.632 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 15.8 t -73.43 -34.53 65.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.911 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.9 mtp180 -83.82 -39.13 20.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.533 -176.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -105.61 168.56 9.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.79 115.87 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.011 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.5 t -146.48 104.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.813 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -113.86 -19.18 11.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.649 0.261 . . . . 0.0 111.456 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . 0.405 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 20.1 m -69.25 -41.77 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.164 0.507 . . . . 0.0 110.211 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 528' ' ' PRO . 12.2 m -121.82 134.86 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.562 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -113.52 175.58 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.34 -31.87 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.06 -29.17 70.11 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.8 m80 -74.1 -11.78 60.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.516 0.674 . . . . 0.0 110.765 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.574 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 63.6 m-85 -106.17 127.19 53.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.242 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -134.97 132.93 38.97 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.2 m-85 -105.1 -4.7 21.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 111.621 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 50.3 m -61.86 117.34 27.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -75.1 11.27 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.645 2.23 . . . . 0.0 112.478 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -95.51 -0.38 52.24 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.746 ' HG3' HG23 ' A' ' 591' ' ' VAL . 60.4 tpp -97.49 104.2 19.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.322 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.3 Cg_endo -82.16 71.41 6.64 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.907 2.404 . . . . 0.0 112.558 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.746 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.4 t -106.98 -72.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.75 -101.65 0.63 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 119.747 -1.216 . . . . 0.0 112.886 -170.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.91 139.05 53.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.093 0.473 . . . . 0.0 110.156 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.7 m-85 -121.53 132.18 54.55 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.236 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -130.78 153.77 48.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.469 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 15.3 tt0 -131.47 127.2 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.97 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.53 124.36 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -133.62 157.92 44.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.358 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -99.51 136.85 38.84 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.478 0.656 . . . . 0.0 111.021 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.4 p -131.27 164.57 41.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.29 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.6 Cg_endo -61.82 -11.12 19.53 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.776 2.317 . . . . 0.0 112.768 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.53 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -102.33 -16.77 16.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.964 0.411 . . . . 0.0 110.287 175.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.52 -166.16 25.62 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.685 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.9 mt -84.64 119.32 25.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.31 0.576 . . . . 0.0 110.396 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.507 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.1 pt20 -133.69 146.92 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.77 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -89.21 110.35 21.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 31.5 t -92.7 127.58 44.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.107 0.48 . . . . 0.0 110.288 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.83 134.58 43.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.848 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 28.9 mt -95.99 142.02 28.71 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -77.91 165.89 23.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.28 -34.98 48.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.035 0.209 . . . . 0.0 111.482 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.49 -28.72 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.53 -28.97 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 611' ' ' ALA . 48.3 mt -47.95 -58.6 7.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.927 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.484 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.83 -28.97 82.12 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.433 2.089 . . . . 0.0 112.606 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -39.68 89.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.308 0.575 . . . . 0.0 109.762 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.93 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.909 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.5 mt -56.45 -38.1 54.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.555 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 92.9 mm-40 -61.72 -33.97 74.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.89 53.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.371 -177.083 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 120.75 0.309 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.31 146.84 33.36 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.049 175.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.33 -42.66 66.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.841 2.36 . . . . 0.0 112.316 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.14 -41.8 72.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.5 mm-40 -71.7 -34.49 69.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.503 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.61 ' HB ' HG21 ' A' ' 591' ' ' VAL . 86.2 t -70.85 -31.33 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.4 ptp180 -81.55 -15.45 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.271 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -50.64 -49.8 76.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 122.366 0.267 . . . . 0.0 111.287 178.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.538 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.8 Cg_exo -56.84 -37.13 98.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.405 2.07 . . . . 0.0 112.427 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -64.1 -27.88 69.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.115 0.483 . . . . 0.0 110.545 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 42.5 mt-30 -77.76 -24.36 49.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.585 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -99.64 -23.98 14.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.61 -22.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 119.733 -1.222 . . . . 0.0 112.831 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 63.8 m95 -66.67 158.87 28.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -129.52 160.88 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.676 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.8 ttt180 -144.96 118.43 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.991 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -118.09 141.02 48.92 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.255 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.1 t -117.28 123.37 71.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.247 0.546 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.425 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 71.3 mtt180 -103.09 121.59 42.93 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.125 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.55 122.92 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 121.533 0.683 . . . . 0.0 110.247 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.57 144.76 51.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.812 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.4 tptm -75.01 127.51 33.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.057 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.38 168.48 17.64 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.914 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -29.71 68.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.091 0.472 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -98.69 -46.49 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -153.42 -174.57 4.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.358 0.599 . . . . 0.0 111.274 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.444 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.1 m95 -86.46 124.81 33.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.083 172.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -127.64 158.76 36.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.689 0.757 . . . . 0.0 111.894 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.28 151.4 23.65 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.939 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -136.93 146.56 45.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.504 0.669 . . . . 0.0 110.486 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.6 m -109.15 125.71 52.47 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.185 -177.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -108.71 148.15 30.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.737 0.779 . . . . 0.0 110.579 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.676 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 17.4 m-85 -131.42 153.81 49.31 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.177 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.47 129.46 33.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.488 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.33 134.41 31.03 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.838 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.65 -7.29 20.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.895 2.396 . . . . 0.0 112.673 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.48 3.52 2.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.369 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.18 -141.93 3.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.773 -1.204 . . . . 0.0 113.021 -167.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -176.45 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.506 . . . . 0.0 111.039 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.461 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -120.26 142.51 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.161 0.505 . . . . 0.0 110.516 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.789 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 12.87 3.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.834 0.826 . . . . 0.0 109.553 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -127.98 145.78 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.689 -1.142 . . . . 0.0 109.76 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.767 ' CE1' HD11 ' A' ' 567' ' ' ILE . 30.3 t80 -55.7 -49.94 89.88 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.993 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.627 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 32.8 Cg_endo -64.0 -15.99 52.33 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.176 1.918 . . . . 0.0 112.289 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -86.05 -26.95 25.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.215 0.531 . . . . 0.0 111.003 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.589 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 50.5 t -77.41 -46.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.0 mm -57.25 -33.0 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.022 0.439 . . . . 0.0 111.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.5 ptpt -74.4 -37.12 63.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.774 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -64.47 -40.82 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.5 mt -66.8 -35.21 79.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.325 0.583 . . . . 0.0 110.08 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 44.9 m -73.5 -44.07 58.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.415 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -81.02 -41.12 23.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.814 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 573' ' ' ASN . 0.9 OUTLIER -97.22 177.36 5.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.94 118.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.863 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.9 129.17 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.582 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -125.33 -26.06 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 38.4 m -78.25 -39.11 41.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.127 0.489 . . . . 0.0 111.699 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.77 139.75 47.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.932 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -112.93 175.2 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.5 -32.4 39.94 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.12 -28.53 67.94 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.4 m80 -75.77 -11.53 60.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.646 . . . . 0.0 110.866 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.569 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 57.7 m-85 -106.35 125.97 51.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.373 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 38.2 t -135.43 133.23 38.41 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.41 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.9 m-85 -104.54 -2.85 24.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.877 0.37 . . . . 0.0 111.477 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.4 m -61.15 116.82 21.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.047 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.96 9.93 2.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.973 2.449 . . . . 0.0 112.182 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 81.7 mtp180 -97.41 0.87 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.71 ' HG3' HG23 ' A' ' 591' ' ' VAL . 52.7 tpp -97.15 101.77 10.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.253 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 614' ' ' ILE . 72.1 Cg_endo -80.51 74.51 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.597 2.198 . . . . 0.0 112.144 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.71 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.3 t -109.74 -72.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.84 -98.16 0.67 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 119.551 -1.309 . . . . 0.0 112.721 -171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -125.82 140.12 52.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.473 0.654 . . . . 0.0 111.137 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 614' ' ' ILE . 13.9 m-85 -121.83 131.97 54.34 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.212 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -129.36 152.89 48.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -130.13 125.25 34.62 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.81 120.81 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -133.74 158.09 44.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.122 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -100.73 133.35 45.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.529 0.681 . . . . 0.0 110.821 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.3 p -128.13 164.73 35.4 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.146 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 28.0 Cg_endo -62.69 -12.6 29.38 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.585 2.19 . . . . 0.0 112.93 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.575 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.52 -17.43 19.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 173.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.44 -163.31 25.45 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 119.898 -1.144 . . . . 0.0 113.869 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 62.4 mt -87.5 117.49 26.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.333 0.587 . . . . 0.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.9 pt20 -135.3 153.34 51.91 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.365 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 59.6 m95 -87.43 110.64 20.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.5 127.33 44.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.279 0.561 . . . . 0.0 110.437 -176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.12 135.12 44.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.944 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 41.7 mt -95.56 143.62 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.408 ' O ' HG13 ' A' ' 614' ' ' ILE . 13.6 m -78.12 164.32 25.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.31 -34.76 48.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.82 -23.81 44.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.98 -31.55 39.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 110.355 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 611' ' ' ALA . 50.8 mt -47.73 -58.66 7.14 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.027 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.66 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.5 Cg_endo -60.89 -30.12 89.43 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.588 2.192 . . . . 0.0 112.73 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 40.3 t -65.17 -40.88 94.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.22 0.533 . . . . 0.0 109.851 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -71.63 -38.21 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.454 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 614' ' ' ILE . 59.2 mt -56.57 -38.0 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.94 176.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -62.13 -34.9 77.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.622 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.81 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.089 0.471 . . . . 0.0 110.842 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.02 -177.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.73 0 CA-C-O 121.29 0.567 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -98.42 149.23 35.53 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.254 174.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.56 -40.59 78.47 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.5 -39.6 84.36 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.718 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 24.1 mm-40 -72.72 -31.18 64.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 111.228 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.743 ' HB ' HG21 ' A' ' 591' ' ' VAL . 65.7 t -73.53 -31.15 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.296 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.8 ptp180 -81.54 -15.0 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.17 -0.332 . . . . 0.0 111.344 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.07 -52.93 43.42 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.699 0.4 . . . . 0.0 111.6 177.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.3 Cg_endo -61.49 -30.37 86.46 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.299 1.999 . . . . 0.0 112.559 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 62.9 mt -65.74 -27.15 68.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.47 . . . . 0.0 110.04 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 44.4 mt-30 -77.61 -23.6 49.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.452 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -96.83 -25.35 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.49 -25.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 119.765 -1.207 . . . . 0.0 113.138 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 57.5 m95 -64.33 158.22 24.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.667 0.233 . . . . 0.0 110.541 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -130.74 159.39 37.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.652 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.2 ttt180 -148.67 119.56 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.377 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -116.15 143.25 45.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.984 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 54.2 t -117.09 119.91 63.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.139 0.495 . . . . 0.0 109.8 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -103.25 118.47 36.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.997 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.35 123.13 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.445 0.64 . . . . 0.0 110.492 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.06 149.44 50.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.062 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.7 tptm -77.25 129.24 35.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 173.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -105.28 169.24 16.22 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.802 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -69.74 -24.21 63.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.918 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -95.18 -57.86 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.521 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -154.01 -169.28 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 111.173 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.0 m95 -84.62 125.14 32.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.502 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -127.42 160.81 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.503 0.668 . . . . 0.0 111.832 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.79 151.16 23.37 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.531 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.23 147.94 44.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.328 0.585 . . . . 0.0 110.429 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 57.2 m -107.63 125.94 51.96 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 -177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -109.72 148.12 31.97 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.53 0.681 . . . . 0.0 110.336 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.652 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.4 m-85 -129.7 150.78 50.87 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.396 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -134.48 131.63 38.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.26 46.79 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.67 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.06 -29.37 54.87 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.073 2.515 . . . . 0.0 112.316 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 5.5 p -143.86 -24.27 0.56 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -79.73 -152.21 7.23 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.912 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.478 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.74 -177.72 2.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.323 -0.438 . . . . 0.0 111.142 -176.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.91 139.08 51.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.177 0.513 . . . . 0.0 110.546 178.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.478 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.7 mpp? -126.44 147.17 49.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.572 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 8.76 3.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.68 0.752 . . . . 0.0 109.629 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.0 mm100 -119.2 144.74 46.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.493 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.5 t80 -59.16 -49.88 90.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.56 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.4 Cg_endo -63.4 -13.95 39.23 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.245 1.963 . . . . 0.0 112.474 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.519 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 14.6 mm-40 -89.42 -25.38 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.27 0.557 . . . . 0.0 110.846 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 43.6 t -77.74 -44.94 28.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.496 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -56.87 -32.23 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.547 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.0 OUTLIER -73.75 -38.3 64.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.039 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.96 -42.86 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.6 mt -68.5 -39.32 81.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.407 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.9 m -72.88 -38.0 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.893 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 76.8 mtp180 -75.9 -24.73 55.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.954 0.407 . . . . 0.0 111.079 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -117.37 -168.72 1.53 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.096 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 56.5 t -119.28 117.2 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 32.9 t -138.86 119.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -111.07 -33.68 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 49.7 m -68.36 -41.13 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.958 0.409 . . . . 0.0 111.096 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.447 HG11 ' CA ' ' A' ' 528' ' ' PRO . 11.6 m -121.61 136.01 59.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.371 0.605 . . . . 0.0 112.143 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.02 175.66 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.36 -31.89 55.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.237 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.53 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 41.6 m80 -74.2 -11.21 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.508 0.67 . . . . 0.0 110.688 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.419 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 40.4 m-85 -108.76 124.27 50.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.252 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.8 m -135.71 132.51 36.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.2 m-85 -101.75 -4.02 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.4 116.78 21.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.13 10.75 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.001 2.467 . . . . 0.0 112.745 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 70.6 mtt180 -96.06 -1.48 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.798 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.2 tpp -95.18 104.83 16.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.169 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 83.9 Cg_endo -82.18 67.47 8.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 123.123 2.549 . . . . 0.0 112.758 -176.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.798 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.5 t -104.81 -70.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.94 -99.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.474 -1.346 . . . . 0.0 112.483 -173.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -123.71 141.82 51.65 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.301 0.572 . . . . 0.0 110.867 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -121.99 132.27 54.44 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.122 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -130.39 155.17 46.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.975 0.417 . . . . 0.0 110.512 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -132.14 127.31 35.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.999 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -74.29 122.39 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -134.99 157.16 47.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.33 139.37 36.09 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.328 0.585 . . . . 0.0 110.777 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 24.2 p -133.35 164.84 41.13 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.442 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.557 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 18.8 Cg_endo -59.77 -13.9 24.38 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.918 2.412 . . . . 0.0 112.76 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.618 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.78 -19.14 18.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.842 0.353 . . . . 0.0 110.45 174.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.97 -165.46 25.38 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 119.878 -1.153 . . . . 0.0 113.719 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.83 118.32 23.33 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.575 0.702 . . . . 0.0 110.32 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.5 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.2 pt20 -134.25 148.46 50.83 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.682 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -88.5 110.17 20.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.99 126.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.0 110.604 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -73.31 134.53 44.2 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.829 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.7 mt -94.59 142.28 27.63 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.2 m -82.73 164.88 20.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.14 -32.73 36.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.63 -34.28 73.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.744 0.307 . . . . 0.0 111.296 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.0 -26.99 33.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.691 0.281 . . . . 0.0 111.164 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 611' ' ' ALA . 28.2 mt -46.88 -58.59 6.68 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.0 Cg_endo -60.56 -33.74 93.34 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.545 2.163 . . . . 0.0 112.562 -175.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.3 m -63.51 -40.33 96.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.09 -39.5 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 614' ' ' ILE . 54.5 mt -56.66 -40.9 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.82 -32.91 71.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.6 25.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.156 0.503 . . . . 0.0 110.781 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 36.5 pt . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.628 0.727 . . . . 0.0 110.124 176.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.634 0.254 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.12 141.61 22.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.23 173.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -51.96 -43.38 52.59 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.31 -42.36 73.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.421 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -72.95 -31.51 64.63 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.449 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.515 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 96.9 t -69.47 -30.08 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.341 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.35 -14.68 52.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.642 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.54 -49.35 86.35 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.5 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 35.1 Cg_exo -58.41 -35.89 98.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.179 1.92 . . . . 0.0 112.187 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.4 mt -65.57 -21.53 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.686 -177.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 40.4 mt-30 -84.13 -20.44 32.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.51 -21.83 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 148.17 -25.49 1.41 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.915 -1.136 . . . . 0.0 112.703 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 65.6 m95 -61.97 157.21 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 534' ' ' ARG . 66.4 mtt180 -129.62 160.97 31.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.707 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 6.7 ttt180 -143.84 118.29 9.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.062 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -116.19 137.42 52.15 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.54 121.09 66.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.105 0.478 . . . . 0.0 109.81 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.529 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.67 118.35 36.35 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.231 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.0 mt -111.31 123.39 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.349 0.595 . . . . 0.0 110.153 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -130.03 144.41 51.32 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.967 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -81.65 126.83 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.409 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.59 168.03 19.28 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.115 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.8 t -72.16 -16.47 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.2 -49.36 3.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -151.91 177.4 10.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.504 0.669 . . . . 0.0 111.829 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 46.8 m95 -85.15 124.84 32.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.397 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.38 164.27 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.561 0.696 . . . . 0.0 111.327 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.27 22.98 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.604 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.44 148.29 44.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.767 0.794 . . . . 0.0 110.772 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 80.0 m -106.87 125.91 51.62 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.167 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 9.5 m95 -110.44 148.09 32.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.388 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.707 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -133.6 154.09 51.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.233 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.68 133.47 38.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -62.52 141.46 46.97 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.259 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.2 -29.15 55.31 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.13 2.553 . . . . 0.0 112.593 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.41 -24.89 0.59 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.843 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -80.05 -147.24 4.54 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.817 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.57 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -81.96 -177.47 6.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.207 0.527 . . . . 0.0 112.05 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.481 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 39.2 ttp180 -109.71 133.39 53.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.709 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.57 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.4 mpp? -126.9 144.92 50.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.227 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -138.32 11.98 2.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.815 0.817 . . . . 0.0 109.791 177.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.464 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.2 mm100 -118.46 145.52 45.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.219 175.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.2 t80 -57.75 -50.23 89.32 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.458 178.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.577 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 43.0 Cg_endo -65.6 -11.89 32.58 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.452 2.101 . . . . 0.0 112.597 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 59.0 mm-40 -88.05 -27.12 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.257 0.551 . . . . 0.0 111.133 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.3 t -77.93 -43.05 28.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.739 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -58.88 -32.43 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.19 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.577 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.84 -37.23 62.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.157 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.43 -43.51 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -63.11 -43.11 99.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 53.0 m -73.46 -39.17 65.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.25 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.88 -16.36 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.706 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -123.33 -173.22 2.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.93 118.19 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 110.45 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.7 t -137.98 138.18 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -129.4 -25.87 2.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 13.4 p -91.73 -40.99 10.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.174 0.511 . . . . 0.0 112.241 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.1 138.18 47.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -112.2 172.6 6.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.437 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.94 -31.93 60.85 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.189 0.45 . . . . 0.0 112.192 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.82 -23.12 67.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -77.28 -12.65 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.537 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.3 m-85 -107.47 124.42 49.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.057 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 47.1 t -130.95 132.62 45.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.0 m-85 -103.6 -3.23 25.47 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.363 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.45 113.99 9.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.657 171.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.65 10.6 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.652 2.235 . . . . 0.0 111.414 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.442 ' HG2' HG23 ' A' ' 618' ' ' ILE . 48.3 mtt180 -100.82 2.55 41.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.425 ' HG2' HG21 ' A' ' 525' ' ' VAL . 49.6 tpp -94.97 107.86 34.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.781 173.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.01 58.08 6.01 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.003 2.469 . . . . 0.0 112.76 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 42.9 t -137.13 140.92 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 101.8 -135.23 12.1 Favored Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -120.43 132.31 55.18 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.867 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -128.43 154.91 45.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.704 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.27 123.91 31.18 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.56 120.31 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -134.08 157.46 46.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.509 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.76 133.14 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.88 0.848 . . . . 0.0 111.095 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.1 p -126.34 164.84 31.5 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 22.4 Cg_endo -61.89 -12.83 27.56 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 122.395 2.063 . . . . 0.0 112.628 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.3 pt-20 -98.75 -15.25 19.39 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.57 175.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.13 -163.9 24.82 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.682 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.99 122.72 29.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.368 0.604 . . . . 0.0 110.497 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.511 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.7 pt20 -138.03 151.44 47.88 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.638 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . 0.529 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.8 m95 -88.5 110.16 20.63 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.3 t -92.79 125.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.05 0.452 . . . . 0.0 110.073 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -74.38 135.46 42.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.063 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.1 144.25 27.14 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 614' ' ' ILE . 47.0 m -81.69 167.68 18.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.47 -31.46 62.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.094 0.247 . . . . 0.0 111.552 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -78.07 -25.35 47.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -82.18 -29.61 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.304 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 611' ' ' ALA . 38.9 mt -47.4 -58.78 6.64 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.074 -0.967 . . . . 0.0 112.978 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.4 Cg_endo -61.38 -31.74 88.77 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.552 2.168 . . . . 0.0 112.773 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.4 m -64.99 -40.69 95.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.5 -38.98 71.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.443 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.8 mt -56.75 -43.52 79.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.933 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.5 mm-40 -55.07 -33.97 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.79 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.976 0.417 . . . . 0.0 110.805 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.457 0.646 . . . . 0.0 110.64 -179.695 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.621 0.248 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.82 144.69 29.02 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.49 174.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.05 -42.92 62.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.751 2.301 . . . . 0.0 112.308 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.14 -41.7 72.1 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.1 mm-40 -72.98 -32.14 64.98 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.415 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.3 t -71.25 -31.54 44.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 ptm180 -80.77 -15.38 56.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.146 174.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.47 HD22 ' NE2' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -50.1 -49.61 74.41 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 122.426 0.29 . . . . 0.0 111.454 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 45.6 Cg_exo -57.35 -36.9 98.9 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.335 2.023 . . . . 0.0 112.26 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.34 -23.98 64.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 61.7 mt-30 -76.71 -25.16 53.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.721 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -94.66 -99.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.918 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.47 -20.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.492 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -70.73 160.38 32.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.437 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -129.83 159.73 35.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.693 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 4.6 ttt180 -145.46 119.79 9.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.268 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.04 116.16 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -107.19 118.82 37.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.349 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 617' ' ' ARG . 24.3 mt -110.61 124.24 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.0 110.447 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -129.33 142.82 50.72 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.562 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -70.32 126.16 28.86 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.99 165.31 25.4 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.1 m -71.11 -20.08 62.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.903 0.383 . . . . 0.0 110.524 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.88 -47.15 3.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -152.55 -173.36 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -83.84 125.06 31.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.549 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -128.54 155.77 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 0.0 112.008 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -145.45 151.87 24.01 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.107 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -140.73 148.88 41.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.845 0.831 . . . . 0.0 111.192 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.473 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.4 m -106.03 125.66 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.17 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -109.18 147.19 32.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.565 0.698 . . . . 0.0 110.566 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.693 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.7 m-85 -130.64 152.98 49.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.203 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -134.28 130.79 37.6 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.92 134.39 25.47 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.648 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.99 -11.08 27.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.937 2.425 . . . . 0.0 112.811 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 9.2 p -137.28 6.79 2.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.181 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.19 -141.25 3.15 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.115 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -81.03 -177.21 6.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.846 -0.677 . . . . 0.0 111.165 -175.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.31 135.8 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.401 0.62 . . . . 0.0 110.344 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -124.94 145.87 49.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.465 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -138.36 10.79 2.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.657 0.742 . . . . 0.0 110.119 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -118.13 144.67 45.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.009 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.7 t80 -57.29 -49.96 90.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.596 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.596 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 34.5 Cg_endo -63.78 -14.93 45.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.341 2.027 . . . . 0.0 112.512 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.08 -27.32 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.233 0.54 . . . . 0.0 111.019 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.5 t -78.21 -45.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.74 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.5 mm -57.42 -33.19 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 121.048 0.451 . . . . 0.0 111.766 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.596 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.1 ptpt -74.5 -38.24 62.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.653 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.92 -40.8 95.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.977 0.417 . . . . 0.0 109.876 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.4 mt -68.0 -40.81 82.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 56.1 m -72.14 -40.63 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.888 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 79.0 mtp180 -72.77 -25.65 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.942 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -117.57 -162.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.18 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.1 t -124.18 117.75 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.0 110.338 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.26 111.0 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.82 -31.32 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.233 -172.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -70.24 -44.29 68.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.037 0.446 . . . . 0.0 111.258 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.15 135.82 61.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.121 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.2 175.52 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.34 -31.94 55.6 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.483 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.53 -30.31 69.67 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 40.9 m80 -73.75 -11.61 60.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.294 0.568 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.539 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.9 m-85 -106.75 126.33 52.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.363 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.8 t -135.47 134.65 39.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.2 -5.12 19.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.7 m -63.95 120.22 61.96 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.764 0.316 . . . . 0.0 111.134 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.96 11.83 1.9 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.222 2.614 . . . . 0.0 112.187 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.26 2.72 34.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.8 tpp -97.34 102.82 13.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.669 172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 72.6 Cg_endo -79.44 72.49 6.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.875 2.383 . . . . 0.0 112.596 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.787 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.6 t -107.6 -72.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.65 -105.94 0.91 Allowed Glycine 0 CA--C 1.502 -0.721 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.868 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -113.61 137.81 51.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-O 121.203 0.525 . . . . 0.0 110.235 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -119.7 131.87 55.52 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -127.78 153.09 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 609' ' ' LEU . 6.6 tp10 -131.04 120.21 23.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.99 124.41 26.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -133.98 157.83 45.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -173.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.15 143.42 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 0.0 110.779 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.595 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.4 p -135.38 165.05 39.29 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.361 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.1 Cg_endo -61.7 -11.4 20.4 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.715 2.277 . . . . 0.0 112.847 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.58 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.9 pt-20 -102.11 -16.05 16.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.258 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 140.39 -170.76 24.27 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.386 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.2 mt -81.85 124.81 30.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.493 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.9 pt20 -139.38 150.5 45.38 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.377 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -88.23 111.29 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.31 124.21 44.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.201 0.524 . . . . 0.0 110.684 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -74.25 134.81 42.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 596' ' ' GLU . 20.1 mt -97.76 145.17 26.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.967 -175.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 166.88 15.86 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.59 -33.29 54.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.63 -29.12 62.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.92 -29.27 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.3 mt -46.52 -58.39 6.81 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.0 Cg_endo -61.3 -33.6 89.22 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.425 2.084 . . . . 0.0 112.555 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.07 -32.42 72.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.239 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 539' ' ' ILE . 3.5 mpt_? -72.95 -45.28 58.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.965 173.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 614' ' ' ILE . 53.9 mt -57.33 -39.44 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.161 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -56.97 -34.64 68.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.72 51.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.706 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 28.4 pt . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.959 0.885 . . . . 0.0 110.181 179.242 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 120.655 0.264 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -102.19 142.93 25.58 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.206 175.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.76 -43.97 51.65 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.111 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.38 -41.74 76.72 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.923 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.6 mm-40 -72.84 -32.5 65.52 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.424 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.568 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 97.7 t -67.76 -30.81 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.458 ' HB3' ' CG1' ' A' ' 591' ' ' VAL . 9.1 ptm180 -81.97 -15.68 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.711 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -52.91 -50.77 79.76 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.535 179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.7 Cg_exo -59.1 -35.49 97.94 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.245 1.964 . . . . 0.0 112.096 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.8 mt -64.01 -24.2 67.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.616 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.419 HE21 HD22 ' A' ' 527' ' ' LEU . 12.9 mt-30 -84.56 -21.28 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -96.59 -23.38 16.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . 0.418 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 147.73 -25.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.622 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.624 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 67.6 m95 -62.0 152.63 31.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.242 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -131.52 158.18 41.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 537' ' ' VAL . 0.0 OUTLIER -143.52 120.22 11.16 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.468 178.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -114.73 137.81 51.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.554 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 78.0 t -116.44 120.85 66.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.774 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.49 119.39 38.79 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.837 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.71 122.99 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 121.3 0.572 . . . . 0.0 110.405 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -127.21 144.7 50.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -76.71 126.64 31.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.128 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.431 ' O ' ' HE2' ' A' ' 541' ' ' LYS . . . -97.66 165.59 22.36 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.236 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.2 t -71.62 -16.31 62.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.079 0.466 . . . . 0.0 110.3 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -109.48 -46.03 3.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -152.74 -177.99 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.52 0.676 . . . . 0.0 111.851 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.443 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 54.1 m95 -89.25 124.56 34.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.844 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -130.67 164.2 25.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.73 0.776 . . . . 0.0 111.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.71 152.03 23.85 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.588 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.94 148.95 45.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.522 0.677 . . . . 0.0 110.669 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.475 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 97.2 m -107.74 125.88 51.94 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . 0.491 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 8.8 m0 -109.98 149.3 30.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.637 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.42 ' CE1' ' HD1' ' A' ' 583' ' ' PHE . 15.9 m-85 -132.79 155.92 48.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.902 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -134.9 133.2 39.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.542 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.92 130.31 19.57 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 173.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . 0.418 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 52.9 Cg_endo -69.11 -15.48 39.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.629 2.219 . . . . 0.0 112.122 -175.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 57.9 m -129.34 5.6 5.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.81 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -144.51 3.94 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.495 -169.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.418 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.4 OUTLIER -80.08 -176.53 5.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.953 -0.624 . . . . 0.0 112.464 -173.309 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.491 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 36.1 ttp180 -106.09 133.09 51.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.451 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -124.37 143.58 50.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 11.88 2.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.889 0.852 . . . . 0.0 109.525 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.461 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.7 mm100 -118.84 145.57 45.56 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.069 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.757 ' CE1' HD11 ' A' ' 567' ' ' ILE . 14.6 t80 -57.27 -49.08 95.97 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.403 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 31.8 Cg_endo -63.08 -15.62 49.12 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.555 2.17 . . . . 0.0 112.882 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 56.7 mt-10 -83.4 -28.85 28.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.351 0.596 . . . . 0.0 110.856 177.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.624 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 63.1 t -78.84 -44.46 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.581 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.757 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -59.15 -32.86 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.149 0.5 . . . . 0.0 111.304 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.5 ptpt -74.59 -37.06 63.0 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.862 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -66.7 -40.6 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 33.9 mt -67.45 -37.69 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.2 t -74.19 -44.39 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.933 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -75.45 -34.24 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.817 -175.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 573' ' ' ASN . 0.8 OUTLIER -102.81 176.95 4.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.211 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.32 117.22 41.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 34.2 t -137.82 104.64 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -104.39 -13.33 16.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.712 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 10.5 p -94.02 -44.78 7.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.273 0.559 . . . . 0.0 111.723 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.54 141.22 39.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.849 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -113.28 173.59 6.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.458 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.9 -32.15 52.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.12 -23.91 66.83 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -77.79 -12.68 60.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.208 0.528 . . . . 0.0 110.805 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 54.7 m-85 -108.41 124.84 51.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.43 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.3 p -135.28 133.03 38.48 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.475 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 63.4 m-85 -101.22 -0.66 35.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.112 0.482 . . . . 0.0 111.133 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.6 m -61.52 113.8 9.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.94 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.78 10.25 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.584 2.189 . . . . 0.0 112.32 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -93.17 -1.42 56.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 109.747 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 50.9 tpp -91.95 109.52 37.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.629 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.93 52.49 4.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.184 2.59 . . . . 0.0 112.323 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 526' ' ' ARG . 25.7 t -140.03 119.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 110.53 -154.15 16.74 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -166.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.52 138.39 50.2 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.299 0.571 . . . . 0.0 111.171 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 609' ' ' LEU . 13.3 m-85 -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.254 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.39 152.42 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.458 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 609' ' ' LEU . 38.5 tt0 -135.38 126.87 28.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.529 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 606' ' ' TRP . 36.1 tt0 -75.1 121.0 21.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.351 0.595 . . . . 0.0 109.59 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -130.74 159.3 37.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.327 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -94.41 134.84 36.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.54 0.686 . . . . 0.0 111.177 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.6 p -128.82 164.21 40.12 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.1 Cg_endo -60.14 -15.33 33.52 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.664 2.242 . . . . 0.0 112.613 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.442 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 8.6 pt-20 -99.14 -11.16 21.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.864 0.364 . . . . 0.0 110.794 176.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 131.91 -161.96 23.82 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.867 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.24 122.41 30.19 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.562 0.696 . . . . 0.0 110.728 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.414 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.5 pt20 -138.94 153.45 48.22 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 597' ' ' GLU . 53.5 m95 -91.01 110.47 21.73 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 24.3 t -93.56 130.16 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.002 0.43 . . . . 0.0 110.091 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -73.34 135.55 44.34 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.719 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.8 mt -96.2 143.31 27.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 614' ' ' ILE . 37.8 m -84.67 165.5 17.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.83 -31.73 50.36 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.58 -36.12 78.29 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.486 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.17 -29.47 38.75 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.7 mt -46.48 -58.78 6.03 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.33 -177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.622 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 24.9 Cg_endo -62.29 -31.54 81.91 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.371 2.047 . . . . 0.0 112.814 -175.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 t -66.87 -37.58 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.135 0.493 . . . . 0.0 109.714 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.428 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.3 mpt_? -71.94 -39.87 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.334 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 614' ' ' ILE . 64.7 mt -57.17 -38.99 64.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.907 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.96 -33.84 75.03 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.15 34.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 617' ' ' ARG . 40.0 pt . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.541 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -102.38 144.58 28.9 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.972 173.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.3 -42.77 62.76 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.791 2.327 . . . . 0.0 112.225 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -58.52 -39.98 81.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.704 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -72.12 -30.68 65.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.73 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -74.84 -31.3 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.911 0.386 . . . . 0.0 111.198 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.8 ptm85 -80.74 -15.11 57.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.937 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.417 HD22 ' NE2' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -50.8 -49.88 77.04 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 122.58 0.352 . . . . 0.0 111.324 177.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 51.2 Cg_exo -57.08 -37.19 98.92 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.419 2.08 . . . . 0.0 112.188 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 57.5 mt -64.97 -27.17 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 50.3 mt-30 -77.49 -22.05 51.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.653 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -101.13 -24.15 14.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.83 -27.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.979 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.0 m95 -63.2 157.88 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.731 0.301 . . . . 0.0 110.286 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -131.88 159.43 38.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.643 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.65 119.29 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.675 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -115.18 141.5 47.94 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.353 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.13 119.62 62.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.153 0.501 . . . . 0.0 109.787 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 538' ' ' ARG . 19.5 mtp180 -104.46 118.36 36.41 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.271 -176.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 44.7 mt -113.97 122.78 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.445 0.641 . . . . 0.0 110.647 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -127.74 147.73 50.41 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.7 tptm -82.06 126.51 32.08 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.96 168.83 22.55 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.821 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.5 m -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -108.15 -59.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.96 -179.87 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.454 0.645 . . . . 0.0 112.085 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.513 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.3 m95 -87.23 124.18 33.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.525 174.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.24 163.55 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.363 0.601 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.75 151.67 23.55 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -139.04 148.17 43.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.308 0.575 . . . . 0.0 110.619 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.477 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 58.5 m -108.35 126.05 52.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.072 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -109.91 148.91 30.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.556 0.693 . . . . 0.0 110.617 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.643 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.4 m-85 -131.26 153.07 49.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.454 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -136.17 130.71 33.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.22 135.36 27.55 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.237 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.33 -13.04 27.95 Favored 'Trans proline' 0 CA--C 1.527 0.132 0 C-N-CA 122.895 2.397 . . . . 0.0 112.529 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 36.7 m -135.83 6.15 3.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.952 -175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.73 -147.11 4.74 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 119.606 -1.283 . . . . 0.0 113.241 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -178.0 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.155 -0.522 . . . . 0.0 111.663 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.493 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -118.9 142.68 47.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.565 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -130.1 150.84 51.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.976 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 10.96 2.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.619 0.723 . . . . 0.0 109.811 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.487 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.4 mm100 -117.29 145.22 44.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.198 174.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 567' ' ' ILE . 16.1 t80 -59.96 -49.15 92.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.629 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 36.0 Cg_endo -63.81 -12.61 32.54 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.421 2.081 . . . . 0.0 112.359 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 58.7 mm-40 -89.8 -25.59 21.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 0.0 110.921 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 46.3 t -78.08 -45.17 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.32 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.677 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.64 -32.68 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.189 0.519 . . . . 0.0 111.358 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.53 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.2 ptpm? -73.85 -36.61 64.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.17 -41.69 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.9 mt -67.74 -30.95 70.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.6 t -73.44 -43.64 59.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.931 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 572' ' ' ARG . 19.2 mtp180 -71.38 -35.87 71.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.774 -176.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -110.32 165.46 11.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.234 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.13 116.86 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 141.9 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -137.14 -34.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 111.203 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 32.7 m -68.79 -37.29 79.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.133 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.6 m -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.401 0.619 . . . . 0.0 111.874 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -113.05 175.11 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.78 -32.23 51.74 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.57 -28.42 65.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 45.3 m80 -75.61 -11.93 60.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.252 0.548 . . . . 0.0 111.052 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.53 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 52.0 m-85 -109.2 125.61 52.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.534 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 76.4 p -136.27 140.62 43.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.477 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 64.4 m-85 -108.5 -1.69 19.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.83 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 25.8 m -61.62 118.68 40.21 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.39 11.37 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.64 2.227 . . . . 0.0 112.708 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.449 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 76.0 mtp180 -90.58 -4.92 56.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.758 ' HG3' HG23 ' A' ' 591' ' ' VAL . 47.8 tpp -94.31 105.23 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.739 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.9 Cg_endo -82.67 64.07 8.08 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 123.289 2.659 . . . . 0.0 112.966 -175.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.5 t -102.82 -69.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.05 -103.34 1.43 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.575 -1.298 . . . . 0.0 112.5 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -112.66 138.89 48.8 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.322 0.582 . . . . 0.0 111.036 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.5 m-85 -121.24 132.09 54.61 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.819 174.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -130.1 155.09 46.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.388 . . . . 0.0 110.517 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.2 127.61 38.27 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -74.12 124.77 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -135.19 157.26 47.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.5 137.41 37.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.811 0.815 . . . . 0.0 110.868 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.605 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.9 p -128.86 164.64 37.32 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.748 178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.4 Cg_endo -61.95 -11.27 20.62 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.537 2.158 . . . . 0.0 112.574 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.605 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.7 pt-20 -101.73 -13.91 17.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.933 0.397 . . . . 0.0 110.406 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.02 -163.09 24.83 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.484 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.4 125.71 33.2 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 110.997 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -139.36 151.54 46.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.968 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -86.95 111.36 20.75 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.7 125.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.253 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.11 135.87 42.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.099 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.49 142.09 27.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 18.6 m -79.81 165.96 22.21 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.73 -30.91 61.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.646 0.26 . . . . 0.0 111.403 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -73.99 -29.61 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.794 0.331 . . . . 0.0 111.151 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -81.89 -29.09 32.58 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.911 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.2 mt -46.01 -58.42 6.37 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.196 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 25.5 Cg_endo -61.63 -29.63 84.37 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.515 2.143 . . . . 0.0 112.645 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 37.0 t -64.21 -40.69 96.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 109.912 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.418 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.1 mpt_? -73.55 -40.06 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.3 mt -57.21 -39.36 66.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 25.1 mm-40 -58.76 -35.28 72.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.86 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -80.6 -43.32 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 617' ' ' ARG . 45.6 pt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.119 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.103 0.478 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.51 144.49 28.76 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.19 173.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.33 -42.9 57.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.559 2.173 . . . . 0.0 112.305 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.15 -39.17 78.09 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 11.8 mm-40 -72.19 -34.02 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.712 ' HB ' HG21 ' A' ' 591' ' ' VAL . 68.9 t -69.8 -31.75 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.745 0.307 . . . . 0.0 111.464 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.0 ptm180 -80.04 -16.75 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.232 -0.292 . . . . 0.0 111.251 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.51 -53.67 43.27 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 178.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 23.1 Cg_endo -63.34 -27.84 71.64 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.209 1.939 . . . . 0.0 112.185 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 25.8 mt -66.35 -19.66 65.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.0 110.146 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 30.1 mt-30 -87.27 -12.0 47.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.14 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -122.89 56.32 1.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 83.83 -42.59 3.07 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.186 -1.007 . . . . 0.0 114.005 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.556 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 77.2 m95 -60.38 152.31 25.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.518 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.33 160.11 34.06 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.706 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.3 ttt180 -144.13 118.7 9.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.696 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.12 136.27 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.899 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.15 125.9 73.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.053 0.454 . . . . 0.0 110.914 -173.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.12 122.61 46.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.458 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.81 124.39 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.291 0.567 . . . . 0.0 110.83 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -131.04 146.33 52.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.242 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.0 tptm -77.97 130.3 36.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.256 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -106.84 169.01 14.72 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.772 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -72.07 -20.75 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -102.95 -50.25 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.648 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -153.3 -177.4 6.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.611 . . . . 0.0 111.199 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 55.4 m95 -85.11 125.07 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.415 173.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -125.78 157.66 36.92 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.656 0.741 . . . . 0.0 111.505 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.24 151.1 23.12 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.542 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -141.21 149.39 41.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.934 0.873 . . . . 0.0 111.128 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.509 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -106.22 126.67 52.51 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.817 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -108.14 147.54 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.829 0.823 . . . . 0.0 110.563 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.706 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -131.21 153.47 49.43 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.864 -1.516 . . . . 0.0 110.18 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -135.19 129.27 33.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.8 129.96 16.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.46 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.64 -17.54 48.02 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.711 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 63.0 m -128.47 5.6 5.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.426 -175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.09 -141.98 3.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.391 -169.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -177.13 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.018 -0.591 . . . . 0.0 111.759 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.552 ' H ' ' NE ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -120.7 140.38 51.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 175.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.25 149.03 50.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.768 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.513 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.63 9.24 2.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.645 0.736 . . . . 0.0 109.685 174.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -119.82 145.36 46.7 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.575 176.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.7 t80 -57.66 -49.89 91.2 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.966 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.555 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 42.3 Cg_endo -66.25 -13.73 41.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.024 1.816 . . . . 0.0 112.336 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -85.16 -27.06 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.331 0.586 . . . . 0.0 110.548 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.587 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 47.2 t -78.64 -46.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.626 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -58.82 -32.82 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.555 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.4 ptpt -74.15 -37.02 64.15 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.567 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.49 -41.78 99.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.3 mt -68.34 -32.29 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.117 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 37.0 m -74.11 -44.25 54.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.263 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.4 mtp180 -75.54 -32.27 60.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.359 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -111.54 178.99 4.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.831 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.13 117.79 55.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.797 0.332 . . . . 0.0 110.214 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 35.4 t -141.23 110.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . 0.408 ' HA ' ' NH1' ' A' ' 579' ' ' ARG . 7.2 p-80 -111.63 -11.77 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 31.5 p -80.21 -44.55 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 0.0 110.704 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.464 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.9 m -121.88 141.88 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.728 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.446 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 24.3 mmt180 -112.64 173.14 6.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.529 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.15 -32.28 54.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.0 pt-20 -61.01 -26.36 67.55 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.0 m80 -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.318 0.58 . . . . 0.0 110.735 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.463 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 36.1 m-85 -108.03 127.63 53.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.486 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 74.6 p -136.39 137.89 41.0 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 57.2 m-85 -106.88 -2.82 20.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.669 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 62.8 m -62.08 118.03 35.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.5 13.31 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.454 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 17.6 mtm180 -98.37 -0.64 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -94.82 104.12 13.6 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.987 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 85.5 Cg_endo -82.22 67.54 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.987 2.458 . . . . 0.0 112.576 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 84.5 t -104.98 -68.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.74 -108.63 1.8 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.523 -1.322 . . . . 0.0 112.509 -173.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.8 138.88 46.64 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.59 0.709 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -122.25 132.49 54.45 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.373 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.13 155.05 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 4.7 tp10 -134.08 123.89 25.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.763 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.74 124.93 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -134.49 157.55 46.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.933 -174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.59 137.23 37.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 0.0 111.358 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.9 p -131.94 164.23 44.48 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.128 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.5 Cg_endo -62.32 -10.83 19.9 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.631 2.221 . . . . 0.0 112.677 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.1 pt-20 -101.85 -14.82 17.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.007 0.432 . . . . 0.0 110.211 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.38 -169.84 24.12 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.012 -1.09 . . . . 0.0 113.854 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.3 mt -82.33 122.49 28.03 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.314 0.578 . . . . 0.0 110.043 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.482 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.7 pt20 -138.06 150.46 46.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.847 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -88.72 111.73 22.32 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.79 126.68 45.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.328 0.585 . . . . 0.0 110.514 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -73.31 134.7 44.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.958 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 26.7 mt -98.2 145.73 26.32 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -175.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 614' ' ' ILE . 3.8 m -81.36 166.55 20.35 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.71 -35.78 56.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.195 0.309 . . . . 0.0 111.654 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -78.68 -24.33 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.751 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.86 -28.64 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.2 mt -46.64 -58.45 6.8 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.947 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.5 Cg_endo -62.16 -29.88 81.34 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.362 2.042 . . . . 0.0 112.83 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 22.5 t -69.56 -34.22 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.338 0.59 . . . . 0.0 109.663 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.63 -42.39 64.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.542 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 614' ' ' ILE . 66.9 mt -56.97 -39.79 68.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.047 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.7 mm-40 -57.85 -35.42 70.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.73 44.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.951 0.405 . . . . 0.0 111.196 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.542 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 120.749 0.309 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.06 144.66 29.08 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 176.433 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -42.89 60.2 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.212 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.69 -42.15 78.58 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 23.0 mm-40 -73.1 -33.6 65.69 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.613 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.724 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.5 t -70.99 -34.29 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.052 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.586 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.6 ptm180 -78.89 -15.28 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.228 -0.295 . . . . 0.0 111.266 176.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.71 -54.8 32.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 122.801 0.44 . . . . 0.0 111.856 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.3 Cg_endo -60.34 -26.68 83.25 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.322 2.015 . . . . 0.0 112.363 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 37.4 mt -68.8 -20.28 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -92.49 -7.46 47.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.337 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.39 -29.88 10.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.33 -24.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.788 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 42.4 m95 -69.29 162.7 26.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.757 0.313 . . . . 0.0 110.614 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.433 ' HA ' HD22 ' A' ' 529' ' ' LEU . 79.2 ttt180 -137.36 161.37 36.47 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 172.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 5.0 ttt180 -144.42 119.56 10.11 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.525 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -116.55 141.69 47.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.497 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.13 120.55 64.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.257 0.551 . . . . 0.0 109.929 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -105.05 119.78 39.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.097 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.9 mt -113.48 123.34 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.56 0.695 . . . . 0.0 110.675 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -130.5 146.55 52.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.222 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.446 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.5 tptm -76.32 124.61 27.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.13 168.3 23.23 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.525 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.6 m -66.94 -29.52 69.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.592 . . . . 0.0 110.217 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -98.0 -59.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.248 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -140.28 -178.47 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 111.396 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 30.0 m95 -83.77 124.35 30.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.074 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.12 154.57 44.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.672 0.748 . . . . 0.0 112.043 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.4 150.27 22.51 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.652 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -136.38 148.06 47.64 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.51 0.671 . . . . 0.0 110.281 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 70.5 m -107.98 126.45 52.73 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.601 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -107.65 147.57 30.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.983 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.6 OUTLIER -132.99 149.2 52.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.086 177.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.6 133.08 43.21 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.552 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.68 136.99 29.95 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -51.18 -30.16 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 123.173 2.582 . . . . 0.0 113.583 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.22 -25.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.274 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -83.41 -150.49 10.03 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.896 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.96 -177.95 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 -177.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.417 ' HD3' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -121.26 141.5 50.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.386 0.612 . . . . 0.0 110.664 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.454 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -123.36 144.84 49.2 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.685 -176.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -122.23 -3.61 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -115.67 144.92 43.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.388 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.691 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.5 t80 -58.84 -48.66 96.39 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.305 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.8 Cg_endo -63.62 -14.15 40.89 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.338 2.025 . . . . 0.0 112.395 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 67.5 mm-40 -84.84 -26.97 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.353 0.597 . . . . 0.0 111.096 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 61.8 t -79.74 -44.1 23.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.614 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -58.83 -32.55 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 121.282 0.563 . . . . 0.0 111.172 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.43 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.9 ptpt -74.52 -38.61 62.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.666 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -61.78 -44.12 97.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 -176.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -67.97 -39.89 83.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.368 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.7 m -72.79 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.863 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -77.6 -36.98 51.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 111.06 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -102.2 -171.34 1.95 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.176 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.55 116.41 52.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 58.9 t -142.65 120.25 7.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -114.04 -30.82 6.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.463 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.7 m -69.42 -44.37 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.49 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.95 137.75 49.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.42 0.629 . . . . 0.0 112.59 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -113.35 171.38 7.59 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.47 -32.45 57.76 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.44 -28.9 65.72 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 35.5 m80 -74.35 -11.76 60.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 111.023 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.429 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 59.8 m-85 -108.64 128.19 54.62 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.79 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.3 t -135.49 134.51 39.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -108.33 -2.43 19.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 111.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.1 m -61.74 117.39 27.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.55 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -74.54 11.59 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.63 2.22 . . . . 0.0 112.259 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 588' ' ' ARG . 48.1 mtm180 -94.74 -2.67 50.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.747 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.9 tpp -96.47 106.35 28.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.417 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 614' ' ' ILE . 92.7 Cg_endo -82.89 67.48 7.78 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.238 2.625 . . . . 0.0 112.928 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 589' ' ' MET . 76.8 t -104.96 -73.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.44 -95.42 0.84 Allowed Glycine 0 C--N 1.336 0.542 0 C-N-CA 119.532 -1.318 . . . . 0.0 112.857 -170.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.49 138.57 54.55 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.9 m-85 -123.01 132.54 54.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.336 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.85 155.26 46.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -134.31 129.37 35.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.23 126.27 30.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.155 0.502 . . . . 0.0 110.034 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -134.02 156.73 47.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.979 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -102.9 145.47 29.76 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.546 0.688 . . . . 0.0 111.094 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 20.6 p -136.41 165.21 37.17 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.324 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.554 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.7 Cg_endo -60.23 -10.37 12.84 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.937 2.424 . . . . 0.0 112.709 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 13.3 pt-20 -102.11 -15.78 16.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.143 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.48 -174.98 20.46 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.642 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.6 121.72 20.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.212 0.53 . . . . 0.0 110.663 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.463 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.2 pt20 -135.79 145.97 47.08 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.633 178.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -88.54 111.83 22.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.7 t -92.36 127.1 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.462 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -74.23 136.59 42.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.003 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.17 142.85 27.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.2 m -79.48 167.04 21.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.99 -32.4 61.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 111.392 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.16 -25.89 47.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.559 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -82.04 -29.52 31.89 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 611' ' ' ALA . 43.5 mt -47.77 -58.72 7.01 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.073 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.7 Cg_endo -59.97 -30.95 92.84 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.542 2.162 . . . . 0.0 112.616 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 m -66.25 -39.64 89.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.027 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -72.6 -39.18 67.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.845 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.0 mt -56.48 -41.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.843 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.0 mm-40 -56.43 -34.97 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.094 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -79.2 -43.85 23.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.735 0.302 . . . . 0.0 111.006 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.491 0.662 . . . . 0.0 110.177 178.457 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -100.48 147.68 33.92 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.505 177.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.1 -42.49 64.38 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.791 2.327 . . . . 0.0 112.116 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 526' ' ' ARG . 13.2 pt-20 -60.29 -37.91 81.96 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.69 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 27.9 mm-40 -72.09 -33.64 68.05 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.716 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -71.79 -31.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.833 0.349 . . . . 0.0 111.348 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 7.7 ptm180 -79.94 -15.64 56.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.352 -0.218 . . . . 0.0 111.197 174.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.22 -49.65 74.84 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 122.361 0.264 . . . . 0.0 111.213 177.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.4 Cg_exo -55.73 -37.85 95.03 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.43 2.087 . . . . 0.0 112.376 174.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -63.08 -25.24 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.511 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -85.72 -8.03 58.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -128.12 55.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.521 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.08 -45.93 3.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.128 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.8 m95 -60.85 156.46 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -175.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -133.38 161.33 34.81 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.741 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.5 tmt_? -147.77 119.42 8.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.116 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -114.52 142.18 46.74 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.403 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.5 116.79 53.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -107.56 118.02 35.62 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.245 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 41.9 mt -110.74 123.62 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 121.544 0.688 . . . . 0.0 110.472 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.89 144.19 50.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.44 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.35 122.74 22.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -86.89 168.43 39.31 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.576 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.4 m -64.7 -27.35 68.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.257 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -109.12 -58.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.875 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -135.74 -173.25 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.079 0.466 . . . . 0.0 111.365 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -85.86 124.84 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.446 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -128.64 161.16 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.576 0.703 . . . . 0.0 111.856 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.13 151.66 23.41 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -139.2 150.28 45.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.878 0.847 . . . . 0.0 111.387 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 27.5 m -104.47 126.68 51.78 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.016 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -107.97 146.05 33.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 110.425 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.741 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.2 m-85 -130.98 152.81 49.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.083 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -135.18 130.11 34.82 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.82 131.41 25.9 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.446 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.16 6.6 2.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.169 -175.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.89 -142.18 3.34 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.031 -1.08 . . . . 0.0 112.993 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.49 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -78.62 -177.41 5.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.341 -0.429 . . . . 0.0 111.263 -176.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -120.87 142.67 49.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.143 0.497 . . . . 0.0 110.338 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -127.94 145.0 51.1 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.901 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -135.03 11.97 3.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.884 0.85 . . . . 0.0 109.397 176.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.0 OUTLIER -121.93 145.13 48.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.494 174.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.6 t80 -58.23 -49.62 92.6 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.788 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 40.9 Cg_endo -65.18 -13.6 40.63 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.269 1.979 . . . . 0.0 112.422 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 35.4 mm-40 -86.93 -25.89 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.146 0.498 . . . . 0.0 110.929 176.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.16 -44.1 27.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.432 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 12.6 mm -57.67 -33.41 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -178.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.2 -37.8 63.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.834 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.12 -42.03 97.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.56 -38.56 84.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.39 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 40.9 m -72.68 -41.22 65.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.521 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 28.8 mtp180 -78.61 -19.16 53.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 -176.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -118.76 -171.24 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.038 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.6 t -114.52 116.54 52.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 22.7 t -144.83 110.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.006 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -109.09 -25.76 10.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.2 m -69.44 -44.49 71.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.079 0.466 . . . . 0.0 110.605 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 528' ' ' PRO . 15.7 m -121.48 138.72 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.449 0.643 . . . . 0.0 112.309 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.452 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 23.2 mmm180 -112.42 175.47 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.441 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -55.2 -31.28 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.345 0.521 . . . . 0.0 111.781 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.452 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.8 pt-20 -61.31 -21.74 64.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.0 m80 -82.45 -10.71 58.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.583 0.706 . . . . 0.0 110.634 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.581 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 72.4 m-85 -107.08 127.18 53.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.0 m -136.11 132.05 35.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.485 ' CE1' ' HD2' ' A' ' 552' ' ' TYR . 53.5 m-85 -103.23 -0.45 30.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.788 -176.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 24.4 m -62.85 117.62 34.13 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.696 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.8 11.42 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.006 2.471 . . . . 0.0 112.081 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -100.37 2.26 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.814 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -97.83 104.5 21.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.216 176.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 90.6 Cg_endo -81.51 70.54 7.29 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.985 2.457 . . . . 0.0 112.712 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.5 t -105.43 -70.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.52 -109.91 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.684 -1.246 . . . . 0.0 112.266 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -109.62 139.22 44.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.369 0.604 . . . . 0.0 110.582 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.0 m-85 -120.31 132.71 55.42 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.299 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.79 155.14 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.11 127.22 37.68 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.281 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -74.68 120.3 20.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -136.8 156.9 47.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.113 -172.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.39 143.16 30.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.863 0.839 . . . . 0.0 110.882 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.8 p -135.75 164.84 40.5 Favored Pre-proline 0 C--N 1.305 -1.366 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.18 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.5 Cg_endo -59.24 -14.97 26.58 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.873 2.382 . . . . 0.0 112.859 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.578 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.1 pt-20 -97.14 -17.96 19.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.13 0.49 . . . . 0.0 110.265 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.68 -164.99 25.15 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.222 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.25 122.47 28.46 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.446 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.8 pt20 -137.05 151.0 48.43 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.979 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -88.56 110.2 20.7 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 50.8 t -93.84 128.8 44.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.208 0.528 . . . . 0.0 110.529 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -74.13 135.68 42.9 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.063 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.4 mt -96.1 142.61 28.08 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.453 ' O ' HG13 ' A' ' 614' ' ' ILE . 4.0 m -79.65 166.75 21.52 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.09 -34.36 56.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.091 0.244 . . . . 0.0 111.349 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.94 -29.96 63.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.103 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.03 -28.83 32.29 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 110.872 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.1 mt -46.92 -58.54 6.81 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.153 -0.93 . . . . 0.0 113.251 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.648 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.9 Cg_endo -60.72 -32.95 93.63 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.405 2.07 . . . . 0.0 112.683 -175.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.2 m -64.46 -39.89 94.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 0.0 110.274 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -72.03 -39.57 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.0 mt -56.73 -42.99 78.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.109 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.4 mm-40 -58.48 -32.95 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.7 -43.4 25.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.058 0.456 . . . . 0.0 110.726 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 0.0 110.169 178.507 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.148 0.499 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -104.0 143.86 27.51 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.16 171.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.45 -42.91 58.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 112.277 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.95 -39.94 79.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 18.1 mm-40 -72.71 -31.79 65.26 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.22 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.761 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -71.35 -31.98 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.865 0.364 . . . . 0.0 111.283 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 1.2 ptm180 -80.34 -14.33 58.44 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.532 174.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -51.45 -48.49 86.2 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 122.191 0.196 . . . . 0.0 111.327 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.605 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 49.7 Cg_exo -56.93 -37.09 99.16 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.407 2.071 . . . . 0.0 112.223 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 71.1 mt -63.47 -20.9 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.3 mt-30 -87.05 -17.04 33.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.565 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -122.01 58.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.42 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 84.01 -38.94 2.84 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.409 174.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 71.2 m95 -64.38 155.42 32.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.315 0.557 . . . . 0.0 111.611 -176.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -130.95 157.67 42.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.646 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.6 ttt180 -146.12 119.88 9.24 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.693 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.07 141.91 46.86 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.339 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.76 117.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.22 120.83 43.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.757 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.74 125.1 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.927 -174.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -132.58 142.73 49.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.015 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.5 tptm -73.55 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.657 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.37 168.92 20.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.001 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -69.24 -25.88 64.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.039 0.447 . . . . 0.0 110.269 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -101.51 -55.06 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.787 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -146.95 -174.94 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.142 0.496 . . . . 0.0 111.208 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 47.8 m95 -87.17 124.71 33.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.788 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -125.65 163.74 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.611 0.72 . . . . 0.0 111.457 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.19 150.53 22.29 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.624 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -136.71 148.01 47.08 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.714 0.769 . . . . 0.0 110.791 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 55.5 m -106.48 125.42 50.98 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.76 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.14 145.59 33.93 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.655 0.741 . . . . 0.0 110.409 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.646 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 13.9 m-85 -131.58 153.88 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -134.19 130.89 37.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.583 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.76 19.86 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . 0.444 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 42.9 Cg_endo -68.65 -7.17 19.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.834 2.356 . . . . 0.0 113.034 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -135.32 5.14 3.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.14 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.91 -142.58 3.44 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.747 -1.216 . . . . 0.0 113.286 -168.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.416 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.2 OUTLIER -76.68 -176.49 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.449 . . . . 0.0 111.401 -175.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.72 138.23 53.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.214 0.531 . . . . 0.0 110.348 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.5 mpp? -121.45 144.54 48.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 -176.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.62 8.95 2.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.814 0.816 . . . . 0.0 110.14 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.426 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 14.0 mm100 -119.88 145.77 46.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.393 173.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.3 t80 -55.31 -49.08 94.45 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.462 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 33.4 Cg_endo -63.74 -15.71 50.48 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.243 1.962 . . . . 0.0 112.537 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 560' ' ' MET . 98.7 mt-10 -84.09 -27.96 27.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 176.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.636 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.1 t -77.67 -44.21 29.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.422 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.2 mm -58.88 -33.06 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.132 0.491 . . . . 0.0 111.025 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -74.16 -38.63 63.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.005 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -65.46 -41.67 93.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 27.1 mt -66.39 -35.01 79.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.191 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 45.7 m -73.46 -44.65 57.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.02 -35.71 59.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.046 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.49 170.2 8.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.56 116.27 31.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.88 132.98 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -138.06 -26.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.782 0.325 . . . . 0.0 110.776 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 22.5 m -68.06 -39.21 83.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 0.0 110.551 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 528' ' ' PRO . 9.8 m -121.06 138.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.671 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -113.41 175.36 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.433 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.32 -31.34 53.99 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.402 0.546 . . . . 0.0 112.174 -176.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.65 -28.09 65.36 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 42.3 m80 -77.65 -11.91 59.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.543 . . . . 0.0 110.965 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.58 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 59.2 m-85 -107.76 126.99 53.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.774 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 78.4 p -136.42 137.99 41.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.466 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.3 m-85 -106.47 -3.41 20.95 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.798 -176.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.3 m -61.8 118.6 40.03 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.15 12.82 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.924 2.416 . . . . 0.0 112.287 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -99.25 1.18 44.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.813 ' HG3' HG23 ' A' ' 591' ' ' VAL . 55.3 tpp -98.86 103.5 19.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.439 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 87.0 Cg_endo -80.18 71.22 7.16 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 123.001 2.467 . . . . 0.0 112.569 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.813 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.0 t -106.39 -71.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -176.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.26 -112.12 0.96 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.546 -1.311 . . . . 0.0 112.352 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -110.49 141.34 43.75 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.36 0.6 . . . . 0.0 110.346 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.1 m-85 -119.85 132.57 55.61 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.037 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -130.97 152.33 50.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.112 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.411 ' HB3' HD11 ' A' ' 609' ' ' LEU . 8.6 pt-20 -132.82 131.64 41.27 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.0 121.3 21.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 598' ' ' ARG . 19.3 ttt180 -134.14 158.08 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.022 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -100.46 140.7 34.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.489 0.661 . . . . 0.0 110.831 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.2 p -134.35 165.0 39.94 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.815 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.18 -12.58 23.87 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.493 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.4 pt-20 -99.98 -13.62 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.001 0.429 . . . . 0.0 110.464 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.55 -170.48 22.33 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 119.807 -1.187 . . . . 0.0 114.068 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.25 117.61 20.42 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.426 0.632 . . . . 0.0 110.636 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -135.32 153.08 51.98 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.51 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.26 110.57 20.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.76 128.58 45.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.85 135.87 43.43 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.818 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 596' ' ' GLU . 39.6 mt -95.6 143.16 27.12 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 614' ' ' ILE . 50.5 m -88.68 169.58 11.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.55 -34.05 56.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.165 0.291 . . . . 0.0 111.769 -175.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 5.8 mp0 -67.33 -35.95 80.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 110.031 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -81.65 -30.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.089 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 618' ' ' ILE . 37.8 mt -46.18 -59.15 5.22 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.279 -176.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 37.2 Cg_endo -64.64 -28.25 60.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.347 2.031 . . . . 0.0 112.658 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.6 m -69.22 -36.68 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.065 0.46 . . . . 0.0 110.259 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.0 -38.83 66.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 174.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -57.03 -38.39 60.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.695 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 26.0 mm-40 -57.91 -36.05 71.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.734 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.11 -45.08 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.001 0.429 . . . . 0.0 111.139 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 618' ' ' ILE . 38.5 pt . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.197 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.811 0.339 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.73 148.1 34.56 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.137 175.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 591' ' ' VAL . 10.3 Cg_endo -52.47 -42.49 60.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.284 . . . . 0.0 112.167 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -57.25 -40.33 77.41 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.446 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.5 mm-40 -71.85 -38.38 70.11 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.326 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 521' ' ' THR . 87.9 t -66.83 -30.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.36 -15.26 43.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.842 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.63 -54.24 33.23 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.483 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 18.7 Cg_endo -60.18 -29.81 89.9 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.704 2.27 . . . . 0.0 112.597 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 41.5 mt -68.78 -19.93 64.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.527 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' A' ' 527' ' ' LEU . 15.0 mt-30 -86.69 -21.41 26.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.255 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -92.78 -27.12 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.837 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.86 -25.82 0.92 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.047 -1.073 . . . . 0.0 112.606 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.53 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.8 m95 -63.83 157.15 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.653 0.263 . . . . 0.0 110.558 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -133.78 158.87 42.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.61 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 8.4 ttt180 -143.29 120.94 11.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -112.22 139.13 48.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.22 115.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.488 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 89.4 mtt180 -106.6 119.48 39.4 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.482 -174.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.03 123.61 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.305 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -130.52 147.32 52.19 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.069 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.428 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.3 tptm -75.61 124.77 27.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.761 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.68 167.47 24.45 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.247 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.5 m -71.65 -18.55 62.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.151 0.5 . . . . 0.0 110.457 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.24 -54.37 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.607 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.09 -176.82 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.428 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 42.4 m95 -82.26 125.07 30.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.525 176.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -126.19 157.83 37.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.437 0.637 . . . . 0.0 111.525 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -150.79 150.74 22.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.863 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.83 148.5 47.18 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.6 0.714 . . . . 0.0 110.673 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 51.2 m -108.31 125.83 52.14 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.029 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -109.4 149.27 29.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.193 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.61 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 19.5 m-85 -132.28 154.83 49.28 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.099 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.9 131.88 39.63 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.53 131.43 16.58 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.233 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 -26.94 44.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.505 2.137 . . . . 0.0 112.179 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.2 p -119.44 6.31 11.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.703 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.55 -146.1 4.38 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.661 -1.256 . . . . 0.0 113.324 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.08 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 0.0 111.573 -176.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 143.32 45.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.501 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -126.17 143.79 51.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.293 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -135.27 7.93 3.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.791 0.805 . . . . 0.0 109.899 176.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.509 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -118.2 145.39 45.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.402 175.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.764 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -54.41 -49.8 88.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.493 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.0 Cg_endo -64.0 -14.04 41.02 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.317 2.011 . . . . 0.0 112.711 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.501 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 36.8 mt-10 -84.37 -28.57 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.258 0.552 . . . . 0.0 111.057 176.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 62.2 t -78.87 -43.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.491 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -60.17 -32.9 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 19.8 ptpt -73.74 -38.06 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.173 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -64.91 -42.38 94.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -175.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.7 mt -68.2 -38.9 82.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.575 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.7 t -73.03 -40.42 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.544 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.8 mtp180 -77.19 -42.88 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 111.53 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -98.15 -177.12 3.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.842 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.23 115.9 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.103 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 47.0 t -146.16 123.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -123.66 -27.33 4.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 p -68.95 -43.85 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 111.054 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.429 HG11 ' CA ' ' A' ' 528' ' ' PRO . 2.4 m -117.61 137.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.705 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.41 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 12.5 mmm180 -113.44 171.49 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.469 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.77 -31.63 58.93 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -176.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.9 pt-20 -57.33 -30.62 64.95 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.54 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 40.8 m80 -74.26 -12.56 60.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.986 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.484 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.4 m-85 -109.83 126.38 53.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.541 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 69.2 p -134.82 137.75 43.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 60.5 m-85 -106.21 -2.38 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.036 0.446 . . . . 0.0 111.199 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.0 m -62.73 115.18 15.2 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.955 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.52 12.91 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.839 2.359 . . . . 0.0 112.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -98.83 1.04 45.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.68 0.753 . . . . 0.0 109.017 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 53.7 tpp -93.62 108.29 33.12 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.771 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.2 55.95 5.26 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.272 2.648 . . . . 0.0 112.472 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 522' ' ' PRO . 43.8 t -137.17 140.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.328 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 104.08 -122.79 7.51 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.01 140.78 36.31 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -119.85 132.05 55.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.014 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -129.12 153.35 47.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 0.0 110.402 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -130.43 123.75 30.52 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.81 120.84 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -132.14 158.21 42.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.86 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -99.67 143.83 29.45 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.819 0.818 . . . . 0.0 110.845 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.607 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.9 p -135.39 164.59 42.61 Favored Pre-proline 0 C--N 1.306 -1.32 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.173 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.9 Cg_endo -61.87 -11.24 20.19 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.584 2.19 . . . . 0.0 112.704 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.607 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 14.9 pt-20 -102.63 -15.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.561 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.18 -171.71 23.53 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.681 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.14 123.71 29.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.313 0.578 . . . . 0.0 110.141 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.0 pt20 -136.43 150.76 48.91 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.373 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 64.4 m95 -87.06 110.11 19.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.69 124.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.207 0.527 . . . . 0.0 110.548 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -73.19 136.06 44.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.049 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 613' ' ' GLU . 24.4 mt -98.52 145.37 26.86 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 614' ' ' ILE . 16.8 p -80.69 167.38 20.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.19 -35.08 48.11 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.11 -31.73 64.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.03 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . 0.428 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 35.6 mt-10 -81.66 -28.54 33.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.925 0.393 . . . . 0.0 110.948 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 611' ' ' ALA . 35.2 mt -46.32 -58.55 6.36 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.1 Cg_endo -60.71 -33.27 93.37 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.533 2.155 . . . . 0.0 112.89 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.26 -35.26 77.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.452 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -72.81 -40.59 65.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 614' ' ' ILE . 67.9 mt -56.98 -44.27 82.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.829 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 35.3 mm-40 -54.91 -34.11 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.81 -43.25 25.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.3 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.457 0.646 . . . . 0.0 109.98 178.132 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.992 0.425 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.94 147.02 33.31 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 175.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.2 -42.96 61.15 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.938 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.26 -40.61 78.02 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.556 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 528' ' ' PRO . 15.9 mm-40 -71.56 -35.97 70.79 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 111.273 175.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 521' ' ' THR . 94.0 t -68.4 -30.7 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.345 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.75 -15.11 49.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.769 178.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.72 -50.92 78.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 122.727 0.411 . . . . 0.0 111.615 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.6 Cg_exo -60.22 -32.39 94.32 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.189 1.926 . . . . 0.0 112.295 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.6 mt -67.13 -20.71 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.471 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 31.9 mt-30 -86.11 -21.38 27.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.325 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.021 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . 0.507 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 154.06 -28.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.731 -1.223 . . . . 0.0 113.18 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.459 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.6 m95 -62.21 156.42 21.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 110.662 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -131.8 158.1 42.15 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 7.3 ttt180 -142.9 120.14 11.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.26 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -113.58 139.38 49.05 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.42 117.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.7 mtt180 -102.67 119.86 39.57 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.102 -175.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 32.6 mt -114.71 122.75 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-O 121.449 0.642 . . . . 0.0 110.412 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -130.67 148.28 52.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.855 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.0 126.68 30.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.764 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.64 167.02 30.68 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.668 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.1 m -68.75 -25.0 64.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.219 0.533 . . . . 0.0 110.09 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -109.38 -57.78 2.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.714 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.67 -177.87 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.467 0.651 . . . . 0.0 111.818 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -84.98 125.29 32.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.869 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -125.72 149.63 48.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.816 0.817 . . . . 0.0 111.842 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -142.25 150.45 22.11 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.61 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.87 149.81 45.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.564 0.697 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 56.2 m -106.44 126.05 51.76 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.087 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -108.98 149.05 29.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 17.0 m-85 -133.69 152.03 51.79 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.661 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -133.91 132.87 40.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.372 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.02 139.18 32.19 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.986 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . 0.507 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 74.8 Cg_endo -78.42 -7.23 15.88 Favored 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 123.011 2.474 . . . . 0.0 112.341 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 48.6 t -141.35 5.54 1.86 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.339 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.62 -149.73 5.46 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.253 -169.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.551 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -74.82 -177.19 3.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.929 -0.636 . . . . 0.0 111.81 -175.251 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.74 140.36 50.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.101 0.477 . . . . 0.0 110.703 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -127.6 148.96 50.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.977 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.35 10.21 3.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.601 0.715 . . . . 0.0 109.526 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.481 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -117.08 145.78 43.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.775 176.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 567' ' ' ILE . 8.9 t80 -60.48 -49.59 89.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.601 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.536 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 46.8 Cg_endo -66.71 -10.92 29.85 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.216 1.944 . . . . 0.0 112.643 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.7 -26.8 22.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 111.079 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 64.9 t -79.45 -43.28 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.9 mm -59.01 -31.28 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.035 0.445 . . . . 0.0 111.393 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.3 ptpt -74.65 -36.32 62.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.079 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.65 -42.2 98.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.03 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.32 -42.15 84.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.146 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 19.7 m -72.96 -40.94 64.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.657 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -77.0 -17.03 59.13 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.459 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -123.1 -167.08 1.54 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.8 t -115.74 115.42 49.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 59.6 t -150.13 105.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.98 -9.37 10.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 21.5 m -73.77 -43.38 59.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 0.0 109.862 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 12.3 m -120.79 141.62 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.947 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.11 175.42 5.45 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.442 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.007 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.89 -27.51 65.29 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 47.2 m80 -73.0 -11.41 60.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.379 0.609 . . . . 0.0 110.632 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.505 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 48.2 m-85 -108.97 127.26 53.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.515 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 50.9 p -132.92 133.53 43.35 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.442 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.8 m-85 -102.64 -6.08 23.13 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.501 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 58.5 m -61.79 116.95 24.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.701 171.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.93 13.54 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.727 2.285 . . . . 0.0 112.172 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -94.24 -2.0 53.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.409 ' HG2' HG21 ' A' ' 525' ' ' VAL . 52.6 tpp -94.79 108.19 35.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.039 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.2 55.64 5.45 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.245 2.63 . . . . 0.0 112.814 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.27 141.41 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 102.0 -124.77 8.31 Favored Glycine 0 N--CA 1.435 -1.408 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -138.99 140.05 38.08 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.0 131.27 55.1 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.053 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -130.65 153.92 48.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.313 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -131.51 126.69 35.58 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.187 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.99 121.68 22.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -135.17 156.96 48.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.477 -172.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.54 134.24 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.573 0.702 . . . . 0.0 111.576 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.631 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.3 p -130.18 164.91 37.58 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.022 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.8 Cg_endo -61.65 -11.59 21.1 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.741 2.294 . . . . 0.0 112.892 177.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.631 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.6 pt-20 -99.68 -17.62 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.235 0.54 . . . . 0.0 109.823 175.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.87 -170.04 23.63 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.596 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.63 122.46 25.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.35 0.595 . . . . 0.0 110.145 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.451 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.1 pt20 -136.31 149.5 48.45 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 66.1 m95 -87.17 110.38 20.11 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.85 127.41 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.218 0.532 . . . . 0.0 110.573 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.78 134.97 43.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.95 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.7 mt -95.13 143.37 26.63 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -81.37 166.6 20.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.33 -33.88 59.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.428 0.156 . . . . 0.0 111.339 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.87 -29.99 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.679 0.276 . . . . 0.0 111.145 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.2 -27.98 32.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.7 mt -47.91 -58.12 8.57 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.738 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.539 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.0 Cg_endo -59.6 -32.94 96.8 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.646 2.23 . . . . 0.0 112.509 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.3 m -63.02 -40.99 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.07 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.9 mpt_? -72.87 -39.7 66.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.093 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.8 mt -56.78 -38.79 60.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.82 -34.36 75.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.22 -44.22 30.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.924 0.392 . . . . 0.0 111.181 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 617' ' ' ARG . 46.6 pt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.24 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.956 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.438 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.4 OUTLIER -99.52 153.41 37.79 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.41 174.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 7.8 Cg_endo -51.5 -43.46 49.95 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.029 1.819 . . . . 0.0 111.429 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.438 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 13.6 pt-20 -55.67 -42.49 75.17 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.431 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 7.4 mm-40 -69.57 -35.94 75.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.672 ' HB ' HG21 ' A' ' 591' ' ' VAL . 63.7 t -74.71 -31.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.999 0.428 . . . . 0.0 111.191 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.54 ' HB3' HG13 ' A' ' 591' ' ' VAL . 6.1 ptm180 -81.64 -15.77 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.55 -50.42 66.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 122.42 0.288 . . . . 0.0 111.066 177.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 40.9 Cg_exo -57.3 -36.62 98.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.522 2.148 . . . . 0.0 112.249 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 65.6 mt -63.33 -27.1 69.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.369 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.431 HE21 HD22 ' A' ' 527' ' ' LEU . 17.8 mt-30 -81.91 -19.69 40.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.873 -177.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -99.12 -21.95 15.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 147.23 -23.85 1.57 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.064 -1.065 . . . . 0.0 112.79 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.504 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 56.3 m95 -64.58 160.64 19.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.575 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -128.9 159.58 35.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.69 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 2.2 ttt180 -145.8 118.72 8.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.448 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.85 141.22 48.38 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.2 t -116.51 118.84 60.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.223 0.535 . . . . 0.0 109.67 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' A' ' 549' ' ' GLU . 89.2 mtt180 -101.74 117.91 35.84 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.303 -177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.1 mt -112.67 122.85 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.605 0.717 . . . . 0.0 110.795 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -128.6 146.34 50.88 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.764 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.439 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 24.5 tptm -73.52 122.35 22.06 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.47 169.16 32.67 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.271 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.8 m -66.21 -26.36 67.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.075 0.465 . . . . 0.0 110.487 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -106.56 -59.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.64 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -140.97 -170.06 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.439 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.7 m95 -85.47 124.5 32.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.582 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -128.2 159.96 33.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.508 0.67 . . . . 0.0 111.908 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -144.71 151.17 23.31 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.951 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 538' ' ' ARG . 9.2 pt-20 -133.76 145.03 49.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.269 0.557 . . . . 0.0 109.992 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.8 m -107.81 124.58 50.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.975 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -109.56 147.77 32.42 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.654 0.74 . . . . 0.0 110.794 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.69 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.0 m-85 -130.1 152.13 49.88 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.185 177.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -135.75 129.6 32.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.45 27.91 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.007 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.79 -6.94 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.908 2.405 . . . . 0.0 112.522 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.63 7.02 1.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.234 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.84 -148.18 5.01 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.096 -1.05 . . . . 0.0 113.046 -171.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -176.2 3.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.605 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.459 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.45 140.08 50.07 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.413 0.625 . . . . 0.0 110.601 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.16 144.76 50.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.518 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.44 8.64 2.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.761 0.791 . . . . 0.0 110.227 177.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.7 mm100 -117.29 145.49 43.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.673 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.6 t80 -55.64 -48.93 95.4 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.199 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.7 Cg_endo -62.23 -16.61 52.03 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.54 2.16 . . . . 0.0 112.622 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 92.7 mt-10 -83.84 -28.5 27.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.806 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.7 t -78.41 -44.82 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -57.83 -33.5 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.081 0.467 . . . . 0.0 111.334 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 18.9 ptpt -73.71 -39.1 64.58 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.27 -40.67 96.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.884 0.373 . . . . 0.0 110.255 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.6 mt -67.29 -32.26 73.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.8 t -73.83 -31.79 63.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.804 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 31.8 mtp180 -83.1 -34.46 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.819 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -115.62 152.96 32.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 38.8 t -79.67 116.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.89 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.9 111.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.022 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -108.13 -21.9 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 16.4 p -72.52 -45.46 59.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.489 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 528' ' ' PRO . 4.0 m -122.71 137.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.364 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -113.99 175.22 5.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.528 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.53 -32.4 40.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.3 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.55 -29.63 69.26 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 44.8 m80 -75.06 -11.21 60.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.656 0.741 . . . . 0.0 110.571 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.576 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.1 m-85 -107.71 125.25 51.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.366 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 34.4 t -135.96 134.66 38.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.8 m-85 -105.23 -2.42 24.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.816 -175.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 43.6 m -61.91 118.24 36.87 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . 0.464 ' HB2' HD12 ' A' ' 621' ' ' ILE . 84.2 Cg_endo -75.52 11.13 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.786 2.324 . . . . 0.0 112.001 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -100.85 2.33 40.92 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.712 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.5 tpp -95.36 103.71 13.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.815 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.407 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 91.5 Cg_endo -81.52 67.09 8.51 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.869 2.379 . . . . 0.0 112.691 -175.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 589' ' ' MET . 63.7 t -105.29 -71.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -173.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.84 -105.15 0.92 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.647 -1.263 . . . . 0.0 112.345 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.409 0.624 . . . . 0.0 110.733 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.417 ' HB2' HG12 ' A' ' 614' ' ' ILE . 12.9 m-85 -122.03 132.29 54.44 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.425 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -130.32 154.55 47.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.59 129.51 37.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -74.44 125.16 27.95 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -133.32 158.89 41.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.33 -175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.82 140.69 32.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.835 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.576 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.7 p -133.5 164.21 45.61 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.089 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 21.5 Cg_endo -61.03 -11.51 18.75 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.775 2.317 . . . . 0.0 112.664 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.576 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.2 pt-20 -101.83 -14.56 17.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.52 -169.45 24.32 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.84 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.41 120.69 27.16 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.929 -0.635 . . . . 0.0 110.506 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.525 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.8 pt20 -137.78 150.7 47.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.083 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -89.22 111.58 22.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 23.1 t -93.01 127.42 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.159 0.504 . . . . 0.0 110.218 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.34 135.25 44.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.809 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.65 142.62 27.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.6 m -82.55 165.36 20.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -66.89 -37.6 84.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.08 -27.08 33.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.5 mt -47.15 -58.94 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 33.0 Cg_endo -64.42 -27.57 62.72 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.247 1.965 . . . . 0.0 112.289 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 -39.83 92.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.292 0.568 . . . . 0.0 109.7 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.3 mpt_? -72.63 -39.07 67.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.674 176.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.6 mt -56.84 -38.23 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.014 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.6 mm-40 -59.68 -35.09 73.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.946 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.5 -43.97 25.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 587' ' ' PRO . 36.9 pt . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.137 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 121.185 0.517 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.02 145.19 30.11 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.776 173.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.24 -42.56 59.22 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.5 2.134 . . . . 0.0 111.794 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.1 -42.65 81.17 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.109 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.2 mm-40 -72.75 -28.95 62.93 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 111.495 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.738 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.2 t -74.57 -32.9 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 4.4 ptm180 -78.84 -16.43 57.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.255 -0.278 . . . . 0.0 111.019 175.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.76 -53.91 37.21 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 122.822 0.449 . . . . 0.0 111.928 179.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.5 Cg_endo -59.97 -30.0 90.66 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.2 1.934 . . . . 0.0 112.321 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 52.5 mt -65.99 -24.44 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.249 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 36.0 mt-30 -84.11 -17.6 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.634 -177.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -101.19 -21.78 14.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.75 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . 0.476 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 149.62 -25.21 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.943 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.558 ' O ' ' HD2' ' A' ' 534' ' ' ARG . 66.0 m95 -63.23 157.19 23.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 533' ' ' TRP . 3.2 mpt_? -127.91 159.14 35.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 174.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.651 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.4 ttt180 -146.38 118.64 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.535 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -119.26 141.52 48.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.664 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.9 t -116.79 122.17 69.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.168 0.509 . . . . 0.0 110.158 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -104.94 120.59 41.82 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.912 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mt -114.39 123.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.329 0.585 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.35 146.64 51.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.006 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 47.3 tptt -79.79 129.09 34.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.986 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -100.77 169.53 21.24 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.87 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 51.9 m -64.96 -23.72 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -107.46 -59.24 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.047 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -135.14 -179.99 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.88 0.848 . . . . 0.0 111.974 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.3 m95 -86.25 124.19 32.35 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.246 170.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -128.39 148.93 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.967 0.889 . . . . 0.0 112.168 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -135.9 151.87 20.84 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.912 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.62 148.02 45.47 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.498 0.665 . . . . 0.0 110.337 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 59.5 m -107.01 125.36 50.91 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.955 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -109.05 148.44 30.79 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.712 0.768 . . . . 0.0 110.741 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.651 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.9 m-85 -131.36 152.05 50.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.957 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.9 129.5 34.46 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.05 135.68 37.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.178 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . 0.476 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 63.9 Cg_endo -74.37 -7.01 19.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.998 2.465 . . . . 0.0 112.354 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 10.3 p -143.95 7.3 1.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.116 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -147.79 4.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.757 -1.211 . . . . 0.0 113.518 -169.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -176.49 3.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.99 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.2 OUTLIER -118.01 143.18 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.105 0.478 . . . . 0.0 110.589 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -130.98 147.82 52.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.697 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -140.63 13.36 2.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.754 0.788 . . . . 0.0 110.004 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.448 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.0 mm100 -120.35 145.21 47.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.242 173.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.6 t80 -56.96 -49.65 92.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.454 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.581 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 36.0 Cg_endo -64.2 -15.41 49.32 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.21 1.94 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 37.7 mm-40 -86.54 -26.59 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.269 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 41.8 t -78.4 -43.45 26.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.791 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -57.72 -33.23 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 121.086 0.469 . . . . 0.0 111.308 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.0 ptpt -74.0 -37.37 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.275 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -61.97 -42.09 98.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.479 . . . . 0.0 109.903 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 21.9 mt -66.78 -34.41 77.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.8 t -73.34 -37.91 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.033 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 19.8 mtp180 -73.78 -30.6 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.63 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -115.52 176.7 4.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.32 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 63.2 t -99.82 116.37 42.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 54.4 t -145.19 108.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.91 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -106.54 -27.85 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.082 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 m -68.93 -43.95 74.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.895 0.378 . . . . 0.0 111.609 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.403 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.3 m -121.03 138.95 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.437 0.637 . . . . 0.0 112.596 -178.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.404 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 25.8 mmt180 -112.54 172.64 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.667 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.565 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -51.4 -33.44 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.423 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 11.9 pt-20 -60.96 -28.83 69.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.505 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 49.7 m80 -73.46 -11.65 60.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.0 110.71 -177.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.562 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 54.8 m-85 -107.72 123.73 48.96 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.207 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 73.3 p -135.54 133.82 38.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.505 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 65.3 m-85 -103.44 -0.45 29.96 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.379 -176.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 14.9 m -61.15 115.8 16.09 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.645 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.96 10.53 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.81 2.34 . . . . 0.0 112.072 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.417 ' HG2' HG23 ' A' ' 618' ' ' ILE . 57.2 mtp180 -96.58 -0.76 48.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.7 tpp -99.31 104.38 26.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.514 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.9 Cg_endo -80.99 74.95 5.3 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.89 2.393 . . . . 0.0 112.259 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.1 t -108.52 -69.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -89.78 -104.94 1.16 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.503 -1.332 . . . . 0.0 112.383 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.25 140.44 49.55 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.384 0.612 . . . . 0.0 110.999 -175.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.9 m-85 -121.49 132.15 54.55 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.285 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.64 154.21 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.42 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.414 ' CD ' ' HE ' ' A' ' 617' ' ' ARG . 39.6 tt0 -136.09 129.83 32.46 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.23 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 125.87 29.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 109.93 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -132.97 158.7 42.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.918 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.97 137.58 36.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.724 0.774 . . . . 0.0 111.066 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.561 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 17.4 p -129.44 164.67 38.08 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 114.728 -1.124 . . . . 0.0 108.981 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 29.4 Cg_endo -63.32 -11.56 26.12 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.447 2.098 . . . . 0.0 112.434 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.55 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.0 pt-20 -100.46 -15.1 18.01 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.915 0.388 . . . . 0.0 110.501 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.0 -166.38 25.17 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.649 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.75 120.96 27.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.361 0.601 . . . . 0.0 110.406 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.51 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.0 pt20 -136.2 150.8 49.16 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.249 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -87.92 110.56 20.64 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.6 t -92.65 127.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.314 0.578 . . . . 0.0 110.656 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -74.48 134.89 42.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.045 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 596' ' ' GLU . 29.6 mt -95.46 143.09 27.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -178.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 8.2 m -81.28 167.02 19.99 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.36 -34.19 56.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.058 0.224 . . . . 0.0 111.474 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.91 -25.41 52.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.613 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.05 -28.91 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.143 0.497 . . . . 0.0 110.28 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.4 mt -48.39 -58.68 7.55 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.244 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 29.4 Cg_endo -62.84 -29.08 76.2 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.318 2.012 . . . . 0.0 112.378 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 31.9 t -66.11 -39.53 90.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 109.511 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.414 ' HE ' ' CD ' ' A' ' 596' ' ' GLU . 7.6 mpt_? -72.47 -39.49 67.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.979 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 614' ' ' ILE . 64.0 mt -57.31 -38.39 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.106 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -63.18 -33.99 76.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.838 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.28 45.1 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.925 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 -177.794 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.976 0 CA-C-O 121.402 0.62 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -103.19 149.41 36.9 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.447 171.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.09 -43.19 54.58 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.284 1.989 . . . . 0.0 111.723 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.408 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.2 pt-20 -56.26 -42.19 77.03 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.002 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 17.8 mm-40 -70.83 -33.28 70.52 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 111.062 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.777 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -74.43 -31.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.0 0.429 . . . . 0.0 111.193 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.55 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.0 ptm180 -78.64 -16.45 57.33 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.078 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.22 -49.98 66.81 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 122.424 0.29 . . . . 0.0 111.441 178.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.595 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -55.7 -37.97 94.84 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.481 2.12 . . . . 0.0 112.252 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 56.5 mt -65.83 -24.27 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 16.0 mt-30 -88.85 -7.85 55.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.596 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -112.89 -21.13 11.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.99 -27.37 0.91 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.253 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.46 163.49 15.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -130.53 157.51 42.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.626 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 2.1 ttt180 -146.69 119.03 8.37 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.773 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -118.84 141.84 48.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.627 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.79 122.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.129 0.49 . . . . 0.0 110.186 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . 0.459 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.59 120.53 41.51 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.919 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.6 mt -113.49 122.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.383 0.611 . . . . 0.0 110.669 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -127.53 146.46 50.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.93 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.555 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -80.46 129.89 34.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.401 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.95 162.22 15.49 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.659 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 17.5 m -67.47 -20.03 65.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.896 0.379 . . . . 0.0 110.682 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.53 -49.4 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -153.22 -178.76 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.868 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.555 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.2 m95 -86.32 125.65 33.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.887 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -127.57 159.7 33.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 111.588 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.4 151.22 23.45 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.123 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -135.25 146.8 48.94 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.476 0.655 . . . . 0.0 110.288 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.2 m -108.18 125.58 51.8 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.743 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -108.54 146.95 32.48 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.792 0.806 . . . . 0.0 110.515 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.8 OUTLIER -131.94 149.57 52.4 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.807 178.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.25 128.5 34.0 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.9 132.19 26.19 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.84 -6.34 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.605 2.203 . . . . 0.0 112.299 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -138.55 5.39 2.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.158 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.35 -142.43 3.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.101 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.423 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -79.83 -176.3 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.449 -0.375 . . . . 0.0 111.145 -176.657 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -117.14 140.96 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.16 0.505 . . . . 0.0 110.391 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.557 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.76 144.83 51.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.61 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.91 8.24 2.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.676 0.75 . . . . 0.0 110.281 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.433 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.8 mm100 -115.69 146.07 42.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.989 172.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.2 t80 -56.79 -48.51 97.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.174 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.593 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 29.5 Cg_endo -62.26 -15.43 44.52 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.492 2.128 . . . . 0.0 112.693 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.557 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 43.5 mt-10 -83.71 -28.91 27.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.146 0.498 . . . . 0.0 111.127 175.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 58.4 t -78.83 -43.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.593 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.648 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -58.2 -32.98 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.497 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.9 ptpt -74.05 -38.78 63.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 178.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -63.34 -42.6 98.96 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.8 mt -66.73 -33.19 75.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.476 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -73.26 -44.54 59.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.838 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -70.43 -37.65 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.373 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -103.97 -179.69 4.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 44.6 t -106.83 116.35 50.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.6 t -146.87 118.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -121.51 -21.27 6.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 m -68.82 -41.63 78.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.146 0.498 . . . . 0.0 110.292 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 528' ' ' PRO . 14.0 m -121.35 138.67 50.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.739 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -113.36 175.82 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.507 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.82 -32.09 51.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -177.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.01 -26.47 68.26 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.53 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.1 m80 -76.0 -11.39 59.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.575 0.702 . . . . 0.0 110.471 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 71.3 m-85 -106.91 124.96 50.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.449 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.3 t -135.9 132.51 36.61 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 58.7 m-85 -104.13 2.73 32.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 18.9 m -61.62 115.67 16.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.63 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.32 10.3 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.894 2.396 . . . . 0.0 111.949 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -98.54 -0.19 43.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.834 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -98.02 104.72 23.69 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.201 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.432 ' HB3' HG21 ' A' ' 614' ' ' ILE . 87.3 Cg_endo -80.4 68.28 8.36 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 123.14 2.56 . . . . 0.0 112.775 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.834 HG23 ' HG3' ' A' ' 589' ' ' MET . 77.2 t -101.17 -70.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -96.61 -109.37 2.57 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.698 -1.239 . . . . 0.0 112.502 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 5.3 m-20 -103.45 137.17 41.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 -175.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -122.93 132.08 54.01 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.057 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 23.3 m-85 -129.86 153.69 48.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.615 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' A' ' 609' ' ' LEU . 40.3 tt0 -132.16 126.66 34.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.98 124.42 26.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.039 0.447 . . . . 0.0 110.074 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 599' ' ' ASP . 76.1 ttt180 -131.48 158.63 40.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.475 -173.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 598' ' ' ARG . 8.8 p-10 -97.07 137.03 36.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.669 0.747 . . . . 0.0 111.384 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 19.0 p -129.69 164.57 39.14 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.982 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.8 Cg_endo -62.37 -10.56 19.17 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.611 2.207 . . . . 0.0 112.693 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.0 pt-20 -102.06 -12.68 17.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.101 0.476 . . . . 0.0 110.26 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 134.01 -162.26 24.46 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.549 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.54 126.99 35.25 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.545 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.424 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.5 pt20 -141.69 152.97 44.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.524 176.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 74.4 m95 -85.77 111.6 20.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 124.24 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.234 0.54 . . . . 0.0 110.503 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -73.53 135.28 43.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.346 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.2 mt -96.36 143.51 27.34 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.6 m -79.07 164.76 24.05 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 174.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.63 -33.41 46.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -79.78 -24.18 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.708 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -82.03 -27.05 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.077 0.465 . . . . 0.0 110.552 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 611' ' ' ALA . 46.1 mt -47.4 -59.02 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.012 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.98 -29.66 82.21 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.49 2.127 . . . . 0.0 112.795 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.0 m -66.2 -39.34 89.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.197 0.522 . . . . 0.0 109.94 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.49 -38.92 68.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.806 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.8 mt -56.64 -39.03 60.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.861 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.8 mm-40 -59.78 -34.86 73.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.62 39.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.6 pt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 178.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.848 0 CA-C-O 121.352 0.596 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.53 149.77 37.78 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.333 172.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -51.53 -43.46 50.11 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.313 2.009 . . . . 0.0 112.283 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.57 -42.41 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -71.22 -33.96 70.37 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.644 ' HB ' HG21 ' A' ' 591' ' ' VAL . 76.2 t -74.45 -30.77 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 111.029 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 10.6 ptp180 -81.85 -15.0 55.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.676 175.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.29 -50.21 71.98 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.468 0.307 . . . . 0.0 110.973 177.264 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 48.4 Cg_exo -56.98 -37.84 97.48 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.307 2.004 . . . . 0.0 112.167 174.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 61.6 mt -65.31 -20.05 66.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.2 mt-30 -84.94 -28.48 25.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.034 0.445 . . . . 0.0 110.655 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -93.25 -24.59 18.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.294 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.81 -23.2 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.084 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.516 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 59.0 m95 -66.57 156.13 35.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 0.0 110.419 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -125.72 157.68 36.76 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.5 ttt180 -146.83 118.47 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.637 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.25 141.96 47.65 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.871 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.92 122.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.103 0.478 . . . . 0.0 110.196 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.15 118.9 37.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.219 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.4 mt -112.03 123.3 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -131.16 145.58 52.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.895 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 49.6 tptt -75.58 120.71 21.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.52 169.31 25.92 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.568 -172.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.6 t -68.06 -22.56 64.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.168 0.509 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -105.67 -51.44 3.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.6 -169.8 3.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.412 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 48.5 m95 -83.35 124.55 30.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -125.16 160.42 29.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.663 0.744 . . . . 0.0 111.803 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.43 151.44 23.69 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.433 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.1 147.92 39.31 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.514 0.674 . . . . 0.0 110.67 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.467 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -109.11 126.45 53.21 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.212 -177.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -109.24 147.84 31.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.614 0.721 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.655 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.2 m-85 -131.75 154.92 48.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.136 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -136.09 132.0 35.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.88 131.69 21.19 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.315 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.93 -6.87 19.78 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.758 2.305 . . . . 0.0 112.424 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 29.8 m -136.61 4.16 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.323 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -160.22 -142.54 3.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.046 -171.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -73.25 -177.69 2.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.279 -0.461 . . . . 0.0 110.854 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.424 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -124.15 143.72 50.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.329 0.585 . . . . 0.0 110.567 177.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.45 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.6 mpp? -128.35 148.82 50.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.998 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.34 12.27 3.02 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 176.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -119.0 144.79 46.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.572 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.736 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.4 t80 -57.47 -50.25 89.24 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.514 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.6 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 30.4 Cg_endo -62.55 -17.16 56.84 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.505 2.137 . . . . 0.0 112.741 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -85.53 -26.24 26.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.249 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 56.0 t -78.35 -43.37 26.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.736 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.9 mm -57.76 -33.65 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 111.378 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 16.3 ptpt -74.79 -36.98 62.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.01 -41.83 99.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.0 mt -68.37 -36.84 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.057 -178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 47.8 m -72.53 -43.4 63.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.147 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.58 -27.89 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.856 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -114.73 -177.06 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.127 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 77.2 t -107.4 117.74 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.01 0.433 . . . . 0.0 111.022 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.71 138.24 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.89 -32.72 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.731 0.3 . . . . 0.0 111.497 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 35.5 p -69.87 -41.29 75.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.5 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.74 133.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.958 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 579' ' ' ARG . 17.6 mmm180 -114.0 176.52 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.9 -31.68 41.13 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.47 -26.33 67.82 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 43.8 m80 -79.25 -11.4 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.418 0.628 . . . . 0.0 110.804 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.563 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 58.6 m-85 -105.74 127.33 53.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.465 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.8 t -135.09 133.1 38.93 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.32 -4.3 20.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.817 0.341 . . . . 0.0 111.577 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 23.2 m -61.45 118.24 35.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.7 173.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.07 10.08 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.881 2.387 . . . . 0.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 618' ' ' ILE . 60.7 mtm180 -99.13 2.06 45.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.749 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.1 tpp -95.37 102.72 10.35 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.131 175.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 614' ' ' ILE . 78.4 Cg_endo -81.25 69.3 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.771 2.314 . . . . 0.0 112.618 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.749 HG23 ' HG3' ' A' ' 589' ' ' MET . 73.7 t -106.45 -70.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.14 -106.05 1.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 119.534 -1.317 . . . . 0.0 112.547 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -111.03 138.43 47.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.296 0.57 . . . . 0.0 110.803 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.0 m-85 -122.07 132.47 54.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.275 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.71 154.71 47.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.597 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -131.18 127.76 38.62 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.73 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -75.48 124.02 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -132.61 158.14 42.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.08 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.8 136.43 37.35 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.36 0.6 . . . . 0.0 110.811 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.0 p -130.13 164.0 43.8 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.328 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.9 Cg_endo -61.05 -12.79 24.29 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.829 2.353 . . . . 0.0 112.779 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.2 pt-20 -100.06 -17.61 17.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.004 0.43 . . . . 0.0 110.402 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.58 -168.68 24.88 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.164 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.49 123.43 29.72 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.46 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.0 pt20 -138.58 150.97 46.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.098 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -88.99 110.64 21.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.63 126.47 45.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -74.26 135.33 42.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.048 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.68 144.05 25.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.3 m -80.19 164.16 23.49 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.11 -32.31 46.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.209 0.318 . . . . 0.0 111.655 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.89 -31.95 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.374 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . 0.42 ' HB3' ' NH1' ' A' ' 617' ' ' ARG . 31.9 mm-40 -82.05 -27.05 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.5 mt -46.46 -58.78 6.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 28.9 Cg_endo -62.24 -28.48 79.24 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.553 2.169 . . . . 0.0 112.692 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.7 m -67.36 -39.22 85.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.0 0.429 . . . . 0.0 110.373 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 613' ' ' GLU . 9.1 mpt_? -72.45 -38.51 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.52 HG23 ' HG2' ' A' ' 588' ' ' ARG . 58.2 mt -56.83 -38.88 61.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.48 -34.44 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.04 -44.71 37.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.0 111.025 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.567 -176.464 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -103.31 146.28 32.17 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.398 172.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.39 -43.59 56.18 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.537 2.158 . . . . 0.0 112.14 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.44 -43.3 71.49 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.411 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 13.2 mm-40 -72.02 -33.09 67.77 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.712 177.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 591' ' ' VAL . 72.2 t -71.55 -31.78 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -80.79 -15.43 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.311 175.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.53 -49.04 80.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 122.406 0.282 . . . . 0.0 111.378 178.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.558 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -56.43 -37.72 96.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.378 2.052 . . . . 0.0 112.422 175.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.9 mt -64.16 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 47.6 mt-30 -77.61 -20.63 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -101.18 -26.14 13.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.79 -29.09 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.71 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 57.8 m95 -61.62 159.38 13.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -128.63 159.04 36.83 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.743 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.3 tmt_? -146.33 117.73 7.95 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.191 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -118.57 140.9 49.16 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.456 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.32 122.19 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.07 0.462 . . . . 0.0 110.027 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -104.42 120.35 41.03 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.89 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.5 mt -115.1 123.69 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 121.421 0.629 . . . . 0.0 110.944 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -131.44 149.26 52.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.17 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 28.4 tptp -74.91 121.68 22.25 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.78 166.85 23.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.974 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.5 m -70.29 -19.71 63.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.136 0.493 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.78 -50.07 3.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.544 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -153.11 -174.95 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.284 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . 0.465 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 40.6 m95 -84.29 124.63 31.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.97 147.2 50.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.968 0.89 . . . . 0.0 112.056 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -133.96 151.18 20.15 Favored Glycine 0 N--CA 1.439 -1.144 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.397 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.59 148.33 40.78 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.571 0.7 . . . . 0.0 110.43 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.0 m -105.92 125.96 51.62 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.893 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -109.68 147.8 32.49 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.7 0.762 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.743 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 17.8 m-85 -130.68 151.73 50.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.832 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -134.63 128.81 33.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.94 133.84 25.03 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.523 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.69 -6.42 18.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.48 2.12 . . . . 0.0 112.381 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.76 6.71 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.298 -176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.77 -143.2 3.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.949 -1.12 . . . . 0.0 113.333 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . 0.43 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.2 OUTLIER -79.56 -175.93 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.41 -0.395 . . . . 0.0 111.228 -176.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.445 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -115.62 138.75 50.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.222 0.534 . . . . 0.0 110.252 177.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . 0.475 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -124.15 144.62 49.8 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.08 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -139.77 10.26 2.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.777 0.798 . . . . 0.0 110.393 177.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.465 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.6 mm100 -119.15 145.51 45.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.384 173.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.7 t80 -53.42 -49.37 88.74 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.363 176.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.2 Cg_endo -64.56 -14.54 45.03 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.463 2.109 . . . . 0.0 113.026 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 51.4 mt-10 -83.54 -28.9 28.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.113 0.482 . . . . 0.0 111.281 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.51 -42.62 26.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.991 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -59.57 -33.04 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.7 ptpt -74.22 -38.15 63.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.028 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.09 -42.23 97.01 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.6 mt -64.66 -36.04 82.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.875 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.5 t -73.94 -43.77 57.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.68 -20.73 60.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.791 -175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.65 175.22 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.95 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.14 116.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.3 117.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.546 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -115.65 -28.28 6.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 111.076 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.6 m -70.24 -40.84 74.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.264 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 528' ' ' PRO . 10.1 m -121.69 135.46 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.383 0.611 . . . . 0.0 112.132 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -114.14 175.94 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.36 -32.19 48.07 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.46 -23.64 66.0 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.9 m80 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.332 0.587 . . . . 0.0 110.602 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.591 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 62.8 m-85 -107.0 127.22 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.79 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 35.0 t -135.78 133.37 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -105.55 -5.5 20.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 49.9 m -61.67 119.55 48.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 621' ' ' ILE . 92.2 Cg_endo -75.14 10.68 1.68 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.062 2.508 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -100.37 2.34 42.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.684 0.754 . . . . 0.0 109.213 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.722 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.9 tpp -95.81 104.79 17.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.074 176.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.4 Cg_endo -81.68 66.67 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.076 2.517 . . . . 0.0 112.678 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 589' ' ' MET . 68.0 t -104.97 -72.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.22 -104.05 0.85 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.572 -1.299 . . . . 0.0 112.289 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.98 138.82 52.54 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.304 0.573 . . . . 0.0 110.565 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.9 132.45 54.97 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.276 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.25 153.84 48.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 110.528 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -133.0 126.4 31.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.24 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.82 123.91 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.128 0.49 . . . . 0.0 110.08 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -132.28 156.63 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.431 -173.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.02 133.92 44.8 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.318 0.58 . . . . 0.0 111.02 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.572 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.2 p -128.3 164.65 36.23 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.393 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 27.3 Cg_endo -61.81 -10.77 18.24 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.742 2.295 . . . . 0.0 112.729 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.572 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.4 pt-20 -101.75 -17.16 16.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 110.263 176.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.88 -166.11 25.74 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.625 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.9 mt -85.8 122.21 29.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.403 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.8 pt20 -136.57 150.09 48.42 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.252 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -87.61 110.54 20.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.25 126.81 45.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.3 0.571 . . . . 0.0 110.618 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.81 135.46 43.47 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.418 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.26 144.25 27.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.555 ' O ' HG13 ' A' ' 614' ' ' ILE . 18.0 p -78.95 168.37 19.79 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.22 -34.43 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.75 -28.95 50.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.322 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.96 -28.91 43.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.983 0.42 . . . . 0.0 110.567 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.7 mt -47.46 -58.4 7.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.305 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.499 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.6 Cg_endo -60.57 -31.22 92.02 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.746 2.298 . . . . 0.0 113.015 -175.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.2 t -66.38 -39.01 88.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -72.64 -39.23 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.931 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.5 mt -56.71 -38.43 57.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.2 mm-40 -60.23 -35.35 75.26 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.13 -44.6 46.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.078 0.466 . . . . 0.0 111.201 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.409 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.2 pt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.344 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -102.52 145.35 30.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.261 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 -43.28 58.57 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.65 2.233 . . . . 0.0 112.48 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.53 -40.59 75.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.499 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.3 mm-40 -72.04 -33.31 67.89 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.381 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' VAL . . . . . 0.602 ' HB ' HG21 ' A' ' 591' ' ' VAL . 80.0 t -72.91 -30.21 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' ARG . . . . . 0.521 ' HB3' HG13 ' A' ' 591' ' ' VAL . 13.2 ptp180 -82.08 -16.95 48.28 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.29 -0.257 . . . . 0.0 110.972 175.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.06 -53.95 33.41 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.605 0.362 . . . . 0.0 111.682 178.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.1 Cg_endo -60.28 -30.04 90.25 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.373 2.049 . . . . 0.0 112.602 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 38.9 mt -65.53 -21.28 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.347 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -90.3 -7.1 54.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -127.75 56.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 85.02 -47.88 3.94 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.881 . . . . 0.0 114.023 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' TRP . . . . . 0.477 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 75.0 m95 -58.9 156.44 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.0 111.866 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -131.32 160.92 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.753 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.1 tmt_? -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.466 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.71 141.05 48.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.622 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 66.1 t -117.9 123.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.193 0.52 . . . . 0.0 110.271 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -105.03 118.86 37.61 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.541 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 50.1 mt -110.07 123.47 66.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.27 0.557 . . . . 0.0 110.223 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.85 144.39 51.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.578 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -71.27 123.61 22.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -92.98 166.87 28.96 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.684 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.1 m -69.41 -24.7 63.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 110.677 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -109.01 -48.26 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -147.87 -172.1 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.445 0.641 . . . . 0.0 111.437 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -85.68 125.36 33.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.841 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.14 159.76 33.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.389 0.614 . . . . 0.0 111.716 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -143.76 151.97 23.79 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.208 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.473 0.654 . . . . 0.0 110.151 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 44.2 m -108.49 125.68 52.07 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.881 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -109.34 148.01 31.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.787 0.803 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' TYR . . . . . 0.753 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 15.5 m-85 -130.74 153.51 48.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.333 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -135.56 129.9 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.363 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.3 130.83 24.29 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.76 -7.2 20.39 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.653 2.235 . . . . 0.0 112.595 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 73.8 m -139.23 6.57 2.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.956 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.4 -142.62 3.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.802 -1.189 . . . . 0.0 113.174 -170.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -176.4 5.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.153 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.32 54.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.303 0.573 . . . . 0.0 110.673 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -123.4 147.26 47.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 8.16 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.587 0.708 . . . . 0.0 109.396 175.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.522 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -120.36 145.7 46.89 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.857 177.458 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.1 t80 -56.18 -50.71 85.94 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.06 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 45.6 Cg_endo -66.34 -12.12 34.3 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.196 1.931 . . . . 0.0 112.365 -178.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -87.13 -26.57 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 111.361 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 49.0 t -77.89 -45.24 28.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.688 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.8 mm -58.15 -32.29 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.9 ptpt -74.05 -37.34 64.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.862 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.83 -40.68 97.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.415 . . . . 0.0 109.941 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.6 mt -66.52 -34.71 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.4 t -72.95 -43.65 62.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 52.0 mtp85 -73.68 -19.72 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 -175.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -121.93 -175.53 3.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.3 t -114.48 118.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.08 120.03 28.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -109.77 -34.79 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.465 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 37.5 m -71.44 -42.88 67.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' VAL . . . . . 0.441 HG11 ' CA ' ' A' ' 528' ' ' PRO . 13.4 m -121.41 138.33 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -113.15 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' ARG . . . . . 0.474 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.31 -32.15 55.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.5 -29.38 66.22 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' HIS . . . . . 0.517 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.1 m80 -76.02 -11.54 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.308 0.575 . . . . 0.0 110.957 -177.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' PHE . . . . . 0.459 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 44.1 m-85 -106.1 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.455 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 42.4 t -135.3 132.72 38.07 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' PHE . . . . . 0.416 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -103.18 -4.62 24.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.661 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 15.1 m -61.93 116.68 22.88 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.76 10.49 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.95 2.434 . . . . 0.0 112.204 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -100.82 3.14 41.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' MET . . . . . 0.771 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -100.11 101.31 13.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.055 174.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' PRO . . . . . 0.608 ' HB3' HG21 ' A' ' 614' ' ' ILE . 96.5 Cg_endo -79.45 74.14 5.69 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.753 2.302 . . . . 0.0 112.482 -177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.771 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.6 t -109.14 -69.29 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -91.25 -102.5 1.29 Allowed Glycine 0 CA--C 1.506 -0.511 0 C-N-CA 119.482 -1.342 . . . . 0.0 112.73 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 22.9 m-20 -111.3 135.61 51.59 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -122.36 131.52 53.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.989 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 16.7 m-85 -131.5 154.92 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 4.4 pt-20 -131.63 131.21 43.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.78 122.96 24.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -134.51 158.29 44.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.6 -173.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -96.33 139.95 31.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.184 0.516 . . . . 0.0 110.835 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' THR . . . . . 0.56 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.3 p -135.25 163.18 52.86 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.477 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.61 -11.36 19.96 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.027 2.484 . . . . 0.0 112.831 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.56 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.3 pt-20 -101.26 -16.89 16.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.604 175.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.47 -172.16 23.14 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.558 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.9 mt -78.69 119.35 21.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.408 0.623 . . . . 0.0 110.712 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.2 pt20 -136.0 150.76 49.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.876 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -89.36 111.11 21.87 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.9 t -92.64 130.28 41.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.163 0.506 . . . . 0.0 110.23 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -73.74 135.14 43.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.747 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 56.2 mt -94.18 142.31 27.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . 0.528 ' O ' HG13 ' A' ' 614' ' ' ILE . 8.8 p -78.98 166.75 22.01 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.89 -35.52 45.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.48 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.98 -29.2 55.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . 0.471 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 39.7 mt-10 -78.32 -32.64 49.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.484 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 590' ' ' PRO . 52.5 mt -46.9 -58.37 7.16 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.107 -0.952 . . . . 0.0 113.161 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 22.6 Cg_endo -61.08 -29.46 87.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.573 2.182 . . . . 0.0 112.695 -176.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 36.9 t -65.98 -40.12 90.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.15 -39.31 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.539 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 614' ' ' ILE . 60.4 mt -56.67 -42.29 76.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.1 mm-40 -56.27 -33.89 65.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.03 -42.28 21.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.934 0.397 . . . . 0.0 110.747 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 618' ' ' ILE . 34.6 pt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.448 0.642 . . . . 0.0 109.885 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.782 0.325 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.9 -31.59 66.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.635 0.731 . . . . 0.0 110.031 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -121.59 118.52 29.43 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.204 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.05 134.34 29.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -104.56 149.32 25.6 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 121.071 0.462 . . . . 0.0 111.052 -175.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.478 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.6 OUTLIER -98.4 153.69 37.91 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.114 174.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.96 -40.74 75.1 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.484 2.123 . . . . 0.0 111.538 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.478 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.0 pt-20 -59.32 -39.53 83.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.609 178.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -71.15 -33.49 70.09 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.252 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.747 ' HB ' HG21 ' A' ' 591' ' ' VAL . 83.8 t -74.98 -30.05 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 7.9 ptm180 -79.95 -15.61 56.92 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.215 -0.303 . . . . 0.0 110.843 174.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.95 -50.3 69.38 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 122.565 0.346 . . . . 0.0 111.081 176.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.7 Cg_exo -55.61 -38.97 93.63 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.468 2.112 . . . . 0.0 112.256 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 59.4 mt -65.67 -25.83 67.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.47 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 58.7 mt-30 -77.79 -24.48 48.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.636 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -101.12 -25.58 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.09 -24.61 0.61 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 119.756 -1.212 . . . . 0.0 113.31 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.508 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 52.2 m95 -68.61 159.45 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.688 0.28 . . . . 0.0 110.366 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -133.96 157.05 47.02 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.533 ' CZ ' ' H ' ' A' ' 592' ' ' GLY . 0.0 OUTLIER -147.21 121.75 9.76 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 121.452 0.644 . . . . 0.0 111.184 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -115.46 142.56 46.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.251 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.487 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 91.5 t -117.6 123.28 71.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.335 176.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.41 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 22.6 mmt180 -102.39 120.07 39.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.023 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 621' ' ' ILE . 43.0 mt -113.63 122.76 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.454 0.645 . . . . 0.0 110.427 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -128.92 146.06 51.05 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.78 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.521 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -78.43 125.0 28.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.224 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.23 168.48 28.45 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.539 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -71.54 -22.56 61.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.282 0.563 . . . . 0.0 110.272 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -108.62 -52.56 2.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.157 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -139.78 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.067 -168.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.9 m95 -83.0 125.0 30.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.262 173.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.81 161.23 29.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.602 0.715 . . . . 0.0 111.959 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -155.33 151.35 22.94 Favored Glycine 0 N--CA 1.439 -1.123 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.95 149.91 45.29 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.778 0.799 . . . . 0.0 111.082 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.534 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 76.3 m -106.51 126.67 52.55 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 114.184 -1.371 . . . . 0.0 110.734 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -108.97 149.25 29.49 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.0 152.01 51.39 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.717 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -134.56 129.16 34.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.351 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.85 131.13 25.64 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.479 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.46 -7.24 20.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.541 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 38.3 t -140.63 5.78 2.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.582 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.47 -146.0 4.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.282 -170.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -175.87 3.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.149 -0.526 . . . . 0.0 111.164 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.12 142.21 49.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.21 0.529 . . . . 0.0 110.714 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.522 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.5 mpp? -127.04 147.62 50.14 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.966 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 6.38 2.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.575 0.702 . . . . 0.0 110.014 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.0 mm100 -113.75 145.68 41.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.9 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.693 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -57.29 -49.22 95.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.327 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 38.0 Cg_endo -64.47 -13.92 41.3 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.387 2.058 . . . . 0.0 112.678 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.522 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 37.1 mt-10 -83.48 -28.14 28.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 111.18 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.558 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 60.0 t -79.02 -44.78 24.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.637 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.693 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.92 -33.64 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.208 0.528 . . . . 0.0 111.199 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -73.83 -37.42 64.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.722 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -62.47 -41.76 99.01 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.9 mt -66.89 -38.11 85.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.354 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -72.05 -29.85 64.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.309 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -86.93 -36.01 18.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.637 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -108.53 169.98 8.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.35 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.98 116.81 33.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.998 0.428 . . . . 0.0 109.998 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 17.6 t -143.53 127.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -128.3 -22.43 3.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.338 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 23.8 p -73.43 -44.28 58.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.152 0.501 . . . . 0.0 111.077 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.46 136.3 59.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.161 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -113.93 176.92 4.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -53.48 -32.04 48.43 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -60.99 -29.7 69.84 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.501 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 46.6 m80 -73.73 -10.94 60.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.682 0.753 . . . . 0.0 110.503 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.411 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 61.9 m-85 -107.89 125.44 51.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.592 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 31.0 m -136.75 132.88 35.4 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.534 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.5 m-85 -103.23 0.87 32.21 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.69 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 35.2 m -61.14 119.69 47.91 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 173.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . 0.515 ' HB2' HD12 ' A' ' 621' ' ' ILE . 96.7 Cg_endo -74.2 10.17 1.55 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.688 2.259 . . . . 0.0 112.125 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 58.1 mtm180 -99.14 1.59 45.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.736 ' HG3' HG23 ' A' ' 591' ' ' VAL . 59.0 tpp -92.98 105.04 13.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.489 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 84.1 Cg_endo -82.3 60.76 7.49 Favored 'Trans proline' 0 N--CA 1.466 -0.118 0 C-N-CA 123.315 2.677 . . . . 0.0 113.043 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.747 HG21 ' HB ' ' A' ' 525' ' ' VAL . 80.9 t -101.77 -71.2 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . 0.533 ' H ' ' CZ ' ' A' ' 535' ' ' ARG . . . -92.4 -115.9 2.25 Favored Glycine 0 CA--C 1.504 -0.65 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.051 -174.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -103.25 139.21 39.0 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.444 0.64 . . . . 0.0 111.258 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 132.53 55.24 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.014 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -130.06 153.61 48.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.702 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -131.9 125.3 31.35 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -74.81 123.87 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.239 0.543 . . . . 0.0 109.839 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -134.98 157.32 47.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.417 -173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -100.23 136.87 39.46 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.551 0.691 . . . . 0.0 110.974 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.57 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.1 p -131.0 164.66 40.63 Favored Pre-proline 0 C--N 1.314 -0.956 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.149 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.57 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.32 -11.45 19.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.63 2.22 . . . . 0.0 112.769 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.522 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.0 pt-20 -99.87 -17.89 17.4 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.765 0.317 . . . . 0.0 110.496 174.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.74 -170.27 24.04 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.768 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.8 mt -80.74 120.93 25.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.23 0.538 . . . . 0.0 110.11 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.479 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.1 pt20 -135.43 149.31 49.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.67 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.4 m95 -87.52 110.79 20.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.39 128.6 44.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.459 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.51 135.61 42.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.458 -177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 32.5 mt -96.18 141.22 29.8 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 10.3 p -78.34 165.93 23.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.29 -35.67 38.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 122.597 0.359 . . . . 0.0 111.141 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.03 -32.61 69.41 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.48 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 42.0 mt-10 -81.07 -28.91 35.11 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.906 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.5 mt -47.58 -58.87 6.56 Favored Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 30.3 Cg_endo -63.33 -27.38 71.55 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.396 2.064 . . . . 0.0 112.614 -175.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 10.5 m -67.93 -40.65 83.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 110.113 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.406 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.4 mpt_? -72.22 -39.07 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.809 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.497 ' O ' ' HB ' ' A' ' 622' ' ' THR . 61.5 mt -56.23 -38.01 52.54 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.873 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 34.4 mm-40 -59.49 -34.85 73.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.07 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.24 27.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.008 0.432 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.4 pt -86.62 -1.38 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.322 -176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 3.7 t -61.17 145.36 51.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.188 0.518 . . . . 0.0 111.029 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -164.71 104.1 0.22 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.85 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.738 177.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -80.77 124.26 28.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.334 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -112.44 115.48 28.75 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 5.3 mt -92.35 146.11 6.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.865 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -98.36 151.47 20.49 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.346 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.4 OUTLIER -99.06 146.32 31.5 Favored Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.43 -41.98 63.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.741 2.294 . . . . 0.0 112.303 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.71 -39.05 79.66 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.542 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -72.42 -32.84 66.66 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.624 ' HB ' HG21 ' A' ' 591' ' ' VAL . 75.7 t -72.79 -31.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 37.8 ptt180 -80.83 -15.95 55.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.718 175.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.512 HD22 HE21 ' A' ' 530' ' ' GLN . 0.2 OUTLIER -51.44 -49.22 83.56 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 122.621 0.369 . . . . 0.0 111.212 179.364 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.525 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.2 Cg_exo -55.52 -38.62 93.88 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.246 1.964 . . . . 0.0 111.993 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 26.4 mt -66.07 -23.1 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.245 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 28.7 mt-30 -87.3 -9.91 53.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 577' ' ' SER . 71.7 m-70 -108.74 -25.96 10.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.42 -22.89 1.21 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.006 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 45.9 m95 -67.23 161.41 24.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.634 0.254 . . . . 0.0 110.335 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.77 160.3 31.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.624 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.92 119.1 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.477 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -113.47 142.54 45.8 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.148 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.9 116.15 51.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -104.67 118.27 36.17 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.913 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 42.1 mt -112.25 123.24 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.45 0.643 . . . . 0.0 110.555 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -129.18 149.43 50.99 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.804 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.49 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -72.88 129.37 38.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 173.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -99.49 167.89 21.47 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.772 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.9 m -71.97 -15.76 62.07 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.062 0.458 . . . . 0.0 110.248 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -109.1 -57.01 2.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.755 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -144.21 -169.68 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.149 0.499 . . . . 0.0 110.892 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.49 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 38.7 m95 -86.5 123.99 32.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.418 172.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -126.6 151.07 48.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.671 0.748 . . . . 0.0 112.098 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.18 21.62 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.896 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -137.93 148.21 45.07 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.279 0.561 . . . . 0.0 110.205 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.2 m -105.9 125.6 51.19 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.819 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -108.47 146.36 33.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.65 0.738 . . . . 0.0 110.297 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.624 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.6 m-85 -129.29 150.02 50.84 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.206 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -134.4 132.32 39.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -64.63 141.21 43.68 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.323 175.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -52.3 -29.91 40.36 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.131 2.554 . . . . 0.0 113.554 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 16.0 p -141.14 -22.77 0.76 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.635 0.255 . . . . 0.0 111.365 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -82.88 -147.53 7.0 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.731 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.462 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -79.58 -179.48 6.88 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 111.418 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.472 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.28 140.37 49.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.367 0.603 . . . . 0.0 110.828 -178.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -126.47 145.2 50.58 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.461 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.84 13.62 2.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.685 0.755 . . . . 0.0 109.992 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.1 mm100 -123.7 145.28 49.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.584 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.3 t80 -56.8 -50.49 87.71 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.553 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 39.0 Cg_endo -64.89 -15.07 48.54 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.246 1.964 . . . . 0.0 112.794 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 24.2 mm-40 -85.65 -26.6 25.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.205 0.526 . . . . 0.0 111.07 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.575 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.2 t -78.56 -42.02 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.2 mm -59.6 -33.46 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-O 121.111 0.482 . . . . 0.0 111.398 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.6 ptpt -74.01 -37.18 64.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.206 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -62.15 -45.12 94.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.112 0.482 . . . . 0.0 109.863 -177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.1 mt -69.23 -32.57 71.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.632 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 15.8 t -73.43 -34.53 65.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.911 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.9 mtp180 -83.82 -39.13 20.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.533 -176.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -105.61 168.56 9.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 42.1 t -92.79 115.87 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.011 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.5 t -146.48 104.63 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.813 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -113.86 -19.18 11.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.649 0.261 . . . . 0.0 111.456 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . 0.405 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 20.1 m -69.25 -41.77 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.164 0.507 . . . . 0.0 110.211 177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 528' ' ' PRO . 12.2 m -121.82 134.86 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.562 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -113.52 175.58 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.34 -31.87 46.41 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.06 -29.17 70.11 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.8 m80 -74.1 -11.78 60.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.516 0.674 . . . . 0.0 110.765 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.574 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 63.6 m-85 -106.17 127.19 53.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.242 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 48.0 t -134.97 132.93 38.97 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.2 m-85 -105.1 -4.7 21.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 111.621 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 50.3 m -61.86 117.34 27.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -75.1 11.27 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.645 2.23 . . . . 0.0 112.478 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -95.51 -0.38 52.24 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.746 ' HG3' HG23 ' A' ' 591' ' ' VAL . 60.4 tpp -97.49 104.2 19.48 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.322 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.3 Cg_endo -82.16 71.41 6.64 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.907 2.404 . . . . 0.0 112.558 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.746 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.4 t -106.98 -72.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.75 -101.65 0.63 Allowed Glycine 0 C--N 1.337 0.595 0 C-N-CA 119.747 -1.216 . . . . 0.0 112.886 -170.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.91 139.05 53.02 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 121.093 0.473 . . . . 0.0 110.156 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.487 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.7 m-85 -121.53 132.18 54.55 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.236 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -130.78 153.77 48.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.469 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 15.3 tt0 -131.47 127.2 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.501 -0.772 . . . . 0.0 108.97 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.53 124.36 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -133.62 157.92 44.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.358 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -99.51 136.85 38.84 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.478 0.656 . . . . 0.0 111.021 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.4 p -131.27 164.57 41.48 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.29 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.6 Cg_endo -61.82 -11.12 19.53 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.776 2.317 . . . . 0.0 112.768 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.53 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -102.33 -16.77 16.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.964 0.411 . . . . 0.0 110.287 175.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.52 -166.16 25.62 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.002 -1.094 . . . . 0.0 113.685 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.9 mt -84.64 119.32 25.09 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.31 0.576 . . . . 0.0 110.396 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.507 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.1 pt20 -133.69 146.92 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.77 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -89.21 110.35 21.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 31.5 t -92.7 127.58 44.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.107 0.48 . . . . 0.0 110.288 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.83 134.58 43.35 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.848 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 28.9 mt -95.99 142.02 28.71 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -77.91 165.89 23.55 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.28 -34.98 48.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.035 0.209 . . . . 0.0 111.482 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.49 -28.72 59.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.7 0.286 . . . . 0.0 111.421 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.53 -28.97 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 611' ' ' ALA . 48.3 mt -47.95 -58.6 7.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.927 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.484 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.83 -28.97 82.12 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.433 2.089 . . . . 0.0 112.606 -176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -39.68 89.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.308 0.575 . . . . 0.0 109.762 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -73.93 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.909 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.569 ' O ' ' HB ' ' A' ' 622' ' ' THR . 55.5 mt -56.45 -38.1 54.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.555 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 92.9 mm-40 -61.72 -33.97 74.98 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.89 53.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.926 0.393 . . . . 0.0 110.939 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 40.7 pt -84.18 -5.56 9.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.371 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.0 t -69.08 151.81 45.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.072 0.463 . . . . 0.0 110.669 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -161.28 109.07 0.38 Allowed Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.59 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.74 -179.636 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.717 0.294 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -86.42 157.92 19.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.643 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -79.39 109.44 13.75 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.6 mt -106.45 137.14 38.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.916 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -111.44 150.0 30.48 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.251 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.31 146.84 33.36 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.049 175.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.33 -42.66 66.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.841 2.36 . . . . 0.0 112.316 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.14 -41.8 72.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.5 mm-40 -71.7 -34.49 69.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.503 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.61 ' HB ' HG21 ' A' ' 591' ' ' VAL . 86.2 t -70.85 -31.33 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.4 ptp180 -81.55 -15.45 54.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.271 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -50.64 -49.8 76.55 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 122.366 0.267 . . . . 0.0 111.287 178.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.538 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.8 Cg_exo -56.84 -37.13 98.83 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.405 2.07 . . . . 0.0 112.427 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -64.1 -27.88 69.4 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.115 0.483 . . . . 0.0 110.545 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 42.5 mt-30 -77.76 -24.36 49.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.585 -177.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -99.64 -23.98 14.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -172.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 149.61 -22.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 119.733 -1.222 . . . . 0.0 112.831 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 63.8 m95 -66.67 158.87 28.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -129.52 160.88 31.84 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.676 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.8 ttt180 -144.96 118.43 9.07 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.991 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -118.09 141.02 48.92 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.255 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.1 t -117.28 123.37 71.71 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.247 0.546 . . . . 0.0 110.123 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.425 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 71.3 mtt180 -103.09 121.59 42.93 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.125 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 22.3 mt -112.55 122.92 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-O 121.533 0.683 . . . . 0.0 110.247 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -130.57 144.76 51.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.812 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.4 tptm -75.01 127.51 33.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.057 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.38 168.48 17.64 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.914 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.8 m -68.8 -29.71 68.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.091 0.472 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -98.69 -46.49 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -153.42 -174.57 4.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.358 0.599 . . . . 0.0 111.274 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.444 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.1 m95 -86.46 124.81 33.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.083 172.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -127.64 158.76 36.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.689 0.757 . . . . 0.0 111.894 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.28 151.4 23.65 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.939 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -136.93 146.56 45.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.504 0.669 . . . . 0.0 110.486 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 52.6 m -109.15 125.71 52.47 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.185 -177.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -108.71 148.15 30.88 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.737 0.779 . . . . 0.0 110.579 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.676 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 17.4 m-85 -131.42 153.81 49.31 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.177 176.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.47 129.46 33.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.488 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.33 134.41 31.03 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.838 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.65 -7.29 20.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.895 2.396 . . . . 0.0 112.673 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.48 3.52 2.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.369 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.18 -141.93 3.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 119.773 -1.204 . . . . 0.0 113.021 -167.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -176.45 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.506 . . . . 0.0 111.039 -176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.461 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -120.26 142.51 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.161 0.505 . . . . 0.0 110.516 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.789 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 12.87 3.5 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.834 0.826 . . . . 0.0 109.553 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -127.98 145.78 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.689 -1.142 . . . . 0.0 109.76 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.767 ' CE1' HD11 ' A' ' 567' ' ' ILE . 30.3 t80 -55.7 -49.94 89.88 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.993 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.627 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 32.8 Cg_endo -64.0 -15.99 52.33 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.176 1.918 . . . . 0.0 112.289 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -86.05 -26.95 25.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.215 0.531 . . . . 0.0 111.003 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.589 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 50.5 t -77.41 -46.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.0 mm -57.25 -33.0 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.022 0.439 . . . . 0.0 111.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.5 ptpt -74.4 -37.12 63.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.774 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -64.47 -40.82 96.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.5 mt -66.8 -35.21 79.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.325 0.583 . . . . 0.0 110.08 -179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 44.9 m -73.5 -44.07 58.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.415 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -81.02 -41.12 23.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.814 -173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 573' ' ' ASN . 0.9 OUTLIER -97.22 177.36 5.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 39.6 t -103.94 118.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.863 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.9 129.17 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.582 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -125.33 -26.06 3.68 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 38.4 m -78.25 -39.11 41.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.127 0.489 . . . . 0.0 111.699 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 5.7 m -120.77 139.75 47.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.932 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -112.93 175.2 5.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.512 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.5 -32.4 39.94 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.12 -28.53 67.94 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.4 m80 -75.77 -11.53 60.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.646 . . . . 0.0 110.866 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.569 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 57.7 m-85 -106.35 125.97 51.66 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.373 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 38.2 t -135.43 133.23 38.41 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.41 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.9 m-85 -104.54 -2.85 24.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.877 0.37 . . . . 0.0 111.477 -177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.4 m -61.15 116.82 21.11 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.047 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -76.96 9.93 2.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.973 2.449 . . . . 0.0 112.182 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 81.7 mtp180 -97.41 0.87 48.51 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.71 ' HG3' HG23 ' A' ' 591' ' ' VAL . 52.7 tpp -97.15 101.77 10.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.253 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.456 ' HB3' HG21 ' A' ' 614' ' ' ILE . 72.1 Cg_endo -80.51 74.51 5.51 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.597 2.198 . . . . 0.0 112.144 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.71 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.3 t -109.74 -72.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -84.84 -98.16 0.67 Allowed Glycine 0 C--N 1.335 0.524 0 C-N-CA 119.551 -1.309 . . . . 0.0 112.721 -171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -125.82 140.12 52.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.473 0.654 . . . . 0.0 111.137 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 614' ' ' ILE . 13.9 m-85 -121.83 131.97 54.34 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.212 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -129.36 152.89 48.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.211 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -130.13 125.25 34.62 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -74.81 120.81 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -133.74 158.09 44.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.122 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -100.73 133.35 45.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.529 0.681 . . . . 0.0 110.821 176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 21.3 p -128.13 164.73 35.4 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.146 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 28.0 Cg_endo -62.69 -12.6 29.38 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.585 2.19 . . . . 0.0 112.93 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.575 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.52 -17.43 19.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.041 0.448 . . . . 0.0 110.57 173.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.44 -163.31 25.45 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 119.898 -1.144 . . . . 0.0 113.869 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 62.4 mt -87.5 117.49 26.34 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.333 0.587 . . . . 0.0 110.68 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.426 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.9 pt20 -135.3 153.34 51.91 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.365 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 59.6 m95 -87.43 110.64 20.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.5 127.33 44.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.279 0.561 . . . . 0.0 110.437 -176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.12 135.12 44.7 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.944 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 41.7 mt -95.56 143.62 26.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.408 ' O ' HG13 ' A' ' 614' ' ' ILE . 13.6 m -78.12 164.32 25.09 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 173.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.511 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.31 -34.76 48.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -78.82 -23.81 44.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.98 -31.55 39.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.038 0.447 . . . . 0.0 110.355 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 611' ' ' ALA . 50.8 mt -47.73 -58.66 7.14 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 114.9 -1.045 . . . . 0.0 113.027 -178.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.66 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.5 Cg_endo -60.89 -30.12 89.43 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.588 2.192 . . . . 0.0 112.73 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 40.3 t -65.17 -40.88 94.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.22 0.533 . . . . 0.0 109.851 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -71.63 -38.21 70.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.454 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 614' ' ' ILE . 59.2 mt -56.57 -38.0 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.94 176.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -62.13 -34.9 77.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.622 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.81 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.089 0.471 . . . . 0.0 110.842 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 38.5 pt -84.06 -1.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.02 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 4.1 t -60.58 -20.9 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 94.41 86.09 1.65 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.565 -0.826 . . . . 0.0 113.033 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.625 -0.703 . . . . 0.0 109.589 175.57 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -83.0 159.76 22.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -92.37 122.07 34.47 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.19 142.65 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.186 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -103.92 146.64 28.38 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.29 0.567 . . . . 0.0 111.178 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -98.42 149.23 35.53 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.254 174.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.56 -40.59 78.47 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.5 -39.6 84.36 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.718 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 24.1 mm-40 -72.72 -31.18 64.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 111.228 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.743 ' HB ' HG21 ' A' ' 591' ' ' VAL . 65.7 t -73.53 -31.15 31.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.918 0.39 . . . . 0.0 111.296 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 9.8 ptp180 -81.54 -15.0 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.17 -0.332 . . . . 0.0 111.344 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.07 -52.93 43.42 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 122.699 0.4 . . . . 0.0 111.6 177.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.3 Cg_endo -61.49 -30.37 86.46 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.299 1.999 . . . . 0.0 112.559 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 62.9 mt -65.74 -27.15 68.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.47 . . . . 0.0 110.04 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 44.4 mt-30 -77.61 -23.6 49.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.452 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -96.83 -25.35 15.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.49 -25.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 119.765 -1.207 . . . . 0.0 113.138 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 57.5 m95 -64.33 158.22 24.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.667 0.233 . . . . 0.0 110.541 177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -130.74 159.39 37.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.652 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.2 ttt180 -148.67 119.56 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.377 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -116.15 143.25 45.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.984 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 54.2 t -117.09 119.91 63.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.139 0.495 . . . . 0.0 109.8 176.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -103.25 118.47 36.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.997 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.35 123.13 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-O 121.445 0.64 . . . . 0.0 110.492 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.06 149.44 50.88 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.062 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.7 tptm -77.25 129.24 35.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 173.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -105.28 169.24 16.22 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.802 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.1 m -69.74 -24.21 63.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.118 0.485 . . . . 0.0 109.918 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -95.18 -57.86 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.521 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -154.01 -169.28 3.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.28 0.562 . . . . 0.0 111.173 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.0 m95 -84.62 125.14 32.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.502 174.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -127.42 160.81 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.503 0.668 . . . . 0.0 111.832 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.79 151.16 23.37 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.531 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -138.23 147.94 44.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.328 0.585 . . . . 0.0 110.429 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 57.2 m -107.63 125.94 51.96 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.883 -177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -109.72 148.12 31.97 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.53 0.681 . . . . 0.0 110.336 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.652 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.4 m-85 -129.7 150.78 50.87 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.592 -1.185 . . . . 0.0 110.396 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -134.48 131.63 38.3 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.26 46.79 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.67 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.06 -29.37 54.87 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.073 2.515 . . . . 0.0 112.316 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 5.5 p -143.86 -24.27 0.56 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 172.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -79.73 -152.21 7.23 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.912 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.478 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.0 OUTLIER -73.74 -177.72 2.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.323 -0.438 . . . . 0.0 111.142 -176.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.91 139.08 51.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.177 0.513 . . . . 0.0 110.546 178.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.478 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.7 mpp? -126.44 147.17 49.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.572 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 8.76 3.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.68 0.752 . . . . 0.0 109.629 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' A' ' 565' ' ' GLU . 15.0 mm100 -119.2 144.74 46.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.493 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.5 t80 -59.16 -49.88 90.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.56 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.4 Cg_endo -63.4 -13.95 39.23 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.245 1.963 . . . . 0.0 112.474 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.519 ' CG ' ' HB2' ' A' ' 562' ' ' GLN . 14.6 mm-40 -89.42 -25.38 21.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.27 0.557 . . . . 0.0 110.846 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 43.6 t -77.74 -44.94 28.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.496 176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -56.87 -32.23 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.547 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.482 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.0 OUTLIER -73.75 -38.3 64.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.039 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.96 -42.86 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.6 mt -68.5 -39.32 81.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.407 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.9 m -72.88 -38.0 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.893 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 76.8 mtp180 -75.9 -24.73 55.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.954 0.407 . . . . 0.0 111.079 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -117.37 -168.72 1.53 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.096 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 56.5 t -119.28 117.2 53.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 32.9 t -138.86 119.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -111.07 -33.68 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 49.7 m -68.36 -41.13 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.958 0.409 . . . . 0.0 111.096 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.447 HG11 ' CA ' ' A' ' 528' ' ' PRO . 11.6 m -121.61 136.01 59.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.371 0.605 . . . . 0.0 112.143 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -112.02 175.66 5.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.36 -31.89 55.63 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.237 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.65 -28.89 67.64 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.53 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 41.6 m80 -74.2 -11.21 60.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.508 0.67 . . . . 0.0 110.688 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.419 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 40.4 m-85 -108.76 124.27 50.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.252 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.8 m -135.71 132.51 36.99 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.2 m-85 -101.75 -4.02 27.13 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -177.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.4 116.78 21.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.13 10.75 1.97 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.001 2.467 . . . . 0.0 112.745 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 70.6 mtt180 -96.06 -1.48 48.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.798 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.2 tpp -95.18 104.83 16.44 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.169 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 83.9 Cg_endo -82.18 67.47 8.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 123.123 2.549 . . . . 0.0 112.758 -176.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.798 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.5 t -104.81 -70.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.94 -99.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.474 -1.346 . . . . 0.0 112.483 -173.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -123.71 141.82 51.65 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.301 0.572 . . . . 0.0 110.867 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -121.99 132.27 54.44 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.122 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -130.39 155.17 46.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.975 0.417 . . . . 0.0 110.512 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -132.14 127.31 35.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.999 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -74.29 122.39 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -134.99 157.16 47.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.487 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -100.33 139.37 36.09 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.328 0.585 . . . . 0.0 110.777 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 24.2 p -133.35 164.84 41.13 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.442 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.557 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 18.8 Cg_endo -59.77 -13.9 24.38 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.918 2.412 . . . . 0.0 112.76 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.618 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.3 pt-20 -97.78 -19.14 18.37 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.842 0.353 . . . . 0.0 110.45 174.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 137.97 -165.46 25.38 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 119.878 -1.153 . . . . 0.0 113.719 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 78.4 mt -82.83 118.32 23.33 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.575 0.702 . . . . 0.0 110.32 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.5 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.2 pt20 -134.25 148.46 50.83 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.682 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -88.5 110.17 20.64 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.99 126.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.327 0.584 . . . . 0.0 110.604 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -73.31 134.53 44.2 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.829 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.7 mt -94.59 142.28 27.63 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.2 m -82.73 164.88 20.38 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.14 -32.73 36.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.63 -34.28 73.81 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.744 0.307 . . . . 0.0 111.296 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.0 -26.99 33.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.691 0.281 . . . . 0.0 111.164 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 611' ' ' ALA . 28.2 mt -46.88 -58.59 6.68 Favored Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.533 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.0 Cg_endo -60.56 -33.74 93.34 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.545 2.163 . . . . 0.0 112.562 -175.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.3 m -63.51 -40.33 96.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.254 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.09 -39.5 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 614' ' ' ILE . 54.5 mt -56.66 -40.9 72.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.82 -32.91 71.1 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.6 25.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.156 0.503 . . . . 0.0 110.781 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.06 -2.76 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.628 0.727 . . . . 0.0 110.124 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.51 145.95 31.58 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.299 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 115.53 -18.08 15.63 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.406 175.403 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.98 133.49 35.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.679 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -84.18 122.73 29.26 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.51 132.91 67.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.58 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -94.25 152.47 18.67 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.91 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.12 141.61 22.96 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.23 173.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -51.96 -43.38 52.59 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.31 -42.36 73.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.421 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 10.1 mm-40 -72.95 -31.51 64.63 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.449 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.515 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 96.9 t -69.47 -30.08 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 111.341 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.35 -14.68 52.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.642 177.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.54 -49.35 86.35 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.5 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 35.1 Cg_exo -58.41 -35.89 98.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.179 1.92 . . . . 0.0 112.187 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.4 mt -65.57 -21.53 66.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.686 -177.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 40.4 mt-30 -84.13 -20.44 32.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 -178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -102.51 -21.83 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 148.17 -25.49 1.41 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.915 -1.136 . . . . 0.0 112.703 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 65.6 m95 -61.97 157.21 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 110.675 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 534' ' ' ARG . 66.4 mtt180 -129.62 160.97 31.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.707 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 6.7 ttt180 -143.84 118.29 9.69 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.062 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -116.19 137.42 52.15 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.54 121.09 66.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-O 121.105 0.478 . . . . 0.0 109.81 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.529 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.67 118.35 36.35 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.231 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.0 mt -111.31 123.39 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.349 0.595 . . . . 0.0 110.153 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -130.03 144.41 51.32 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.967 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -81.65 126.83 32.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.409 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.59 168.03 19.28 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.115 -178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.8 t -72.16 -16.47 61.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.2 -49.36 3.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.614 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -151.91 177.4 10.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.504 0.669 . . . . 0.0 111.829 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 46.8 m95 -85.15 124.84 32.28 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.397 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -129.38 164.27 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.561 0.696 . . . . 0.0 111.327 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -154.3 151.27 22.98 Favored Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.604 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -138.44 148.29 44.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.767 0.794 . . . . 0.0 110.772 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.461 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 80.0 m -106.87 125.91 51.62 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.167 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 9.5 m95 -110.44 148.09 32.75 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.388 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.707 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -133.6 154.09 51.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.233 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -135.68 133.47 38.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -62.52 141.46 46.97 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.259 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.2 -29.15 55.31 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.13 2.553 . . . . 0.0 112.593 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.3 p -143.41 -24.89 0.59 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.843 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -80.05 -147.24 4.54 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.817 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.57 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -81.96 -177.47 6.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.207 0.527 . . . . 0.0 112.05 -174.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.481 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 39.2 ttp180 -109.71 133.39 53.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.709 -178.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.57 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.4 mpp? -126.9 144.92 50.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.227 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -138.32 11.98 2.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.815 0.817 . . . . 0.0 109.791 177.192 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.464 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.2 mm100 -118.46 145.52 45.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.219 175.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.2 t80 -57.75 -50.23 89.32 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.458 178.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.577 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 43.0 Cg_endo -65.6 -11.89 32.58 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.452 2.101 . . . . 0.0 112.597 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 59.0 mm-40 -88.05 -27.12 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.257 0.551 . . . . 0.0 111.133 177.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.497 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.3 t -77.93 -43.05 28.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.739 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -58.88 -32.43 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.19 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.577 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.84 -37.23 62.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.157 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.43 -43.51 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -63.11 -43.11 99.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -176.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 53.0 m -73.46 -39.17 65.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.25 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.88 -16.36 53.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.706 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -123.33 -173.22 2.68 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.93 118.19 51.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 110.45 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 24.7 t -137.98 138.18 43.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -129.4 -25.87 2.61 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 13.4 p -91.73 -40.99 10.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.174 0.511 . . . . 0.0 112.241 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -116.1 138.18 47.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -112.2 172.6 6.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.437 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.94 -31.93 60.85 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.189 0.45 . . . . 0.0 112.192 -178.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.82 -23.12 67.11 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -77.28 -12.65 59.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.398 0.618 . . . . 0.0 110.452 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.537 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.3 m-85 -107.47 124.42 49.86 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.057 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 47.1 t -130.95 132.62 45.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.0 m-85 -103.6 -3.23 25.47 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.363 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 19.2 m -61.45 113.99 9.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.657 171.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -74.65 10.6 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.652 2.235 . . . . 0.0 111.414 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.442 ' HG2' HG23 ' A' ' 618' ' ' ILE . 48.3 mtt180 -100.82 2.55 41.22 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.425 ' HG2' HG21 ' A' ' 525' ' ' VAL . 49.6 tpp -94.97 107.86 34.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.781 173.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.01 58.08 6.01 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.003 2.469 . . . . 0.0 112.76 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 42.9 t -137.13 140.92 41.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 101.8 -135.23 12.1 Favored Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -120.43 132.31 55.18 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.867 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -128.43 154.91 45.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.009 0.433 . . . . 0.0 110.704 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -130.27 123.91 31.18 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.56 120.31 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -134.08 157.46 46.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.509 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -97.76 133.14 42.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.88 0.848 . . . . 0.0 111.095 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.1 p -126.34 164.84 31.5 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.99 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 22.4 Cg_endo -61.89 -12.83 27.56 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 122.395 2.063 . . . . 0.0 112.628 177.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.528 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 9.3 pt-20 -98.75 -15.25 19.39 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 110.57 175.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.13 -163.9 24.82 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.682 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.8 mt -84.99 122.72 29.62 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.368 0.604 . . . . 0.0 110.497 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.511 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.7 pt20 -138.03 151.44 47.88 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.638 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . 0.529 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 67.8 m95 -88.5 110.16 20.63 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.3 t -92.79 125.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.05 0.452 . . . . 0.0 110.073 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -74.38 135.46 42.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.063 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.1 144.25 27.14 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 614' ' ' ILE . 47.0 m -81.69 167.68 18.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.47 -31.46 62.0 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.094 0.247 . . . . 0.0 111.552 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -78.07 -25.35 47.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -82.18 -29.61 31.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.304 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 611' ' ' ALA . 38.9 mt -47.4 -58.78 6.64 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 115.074 -0.967 . . . . 0.0 112.978 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.4 Cg_endo -61.38 -31.74 88.77 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.552 2.168 . . . . 0.0 112.773 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.4 m -64.99 -40.69 95.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.297 0.57 . . . . 0.0 109.979 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.5 -38.98 71.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.443 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 614' ' ' ILE . 58.8 mt -56.75 -43.52 79.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.933 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.5 mm-40 -55.07 -33.97 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.27 -42.79 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.976 0.417 . . . . 0.0 110.805 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.0 pt -82.0 -3.55 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.457 0.646 . . . . 0.0 110.64 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 0.9 OUTLIER -92.83 124.87 37.13 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.233 177.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -89.43 38.58 3.2 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.691 -177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.211 -0.899 . . . . 0.0 109.295 179.128 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.557 0.217 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -135.56 159.82 40.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.736 0.303 . . . . 0.0 110.672 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 3.4 tmm_? -88.63 110.54 21.02 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 174.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.8 mt -106.55 136.42 41.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.566 -173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -115.25 151.18 34.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.602 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.82 144.69 29.02 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.49 174.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -54.05 -42.92 62.9 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.751 2.301 . . . . 0.0 112.308 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.14 -41.7 72.1 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.1 mm-40 -72.98 -32.14 64.98 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.415 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.3 t -71.25 -31.54 44.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 111.13 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.4 ptm180 -80.77 -15.38 56.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.146 174.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.47 HD22 ' NE2' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -50.1 -49.61 74.41 Favored Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 122.426 0.29 . . . . 0.0 111.454 178.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 45.6 Cg_exo -57.35 -36.9 98.9 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.335 2.023 . . . . 0.0 112.26 175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 24.7 mt -68.34 -23.98 64.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 61.7 mt-30 -76.71 -25.16 53.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.721 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -94.66 -99.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.918 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.47 -20.38 1.96 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.492 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -70.73 160.38 32.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.124 0.488 . . . . 0.0 111.437 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -129.83 159.73 35.65 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.693 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 4.6 ttt180 -145.46 119.79 9.6 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.268 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.04 116.16 51.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -107.19 118.82 37.73 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.349 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 617' ' ' ARG . 24.3 mt -110.61 124.24 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.535 0.683 . . . . 0.0 110.447 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -129.33 142.82 50.72 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.562 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -70.32 126.16 28.86 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -94.99 165.31 25.4 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.907 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.1 m -71.11 -20.08 62.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.903 0.383 . . . . 0.0 110.524 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -108.88 -47.15 3.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -152.55 -173.36 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -83.84 125.06 31.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.549 174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -128.54 155.77 44.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.662 0.744 . . . . 0.0 112.008 -178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -145.45 151.87 24.01 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.107 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -140.73 148.88 41.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.845 0.831 . . . . 0.0 111.192 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.473 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.4 m -106.03 125.66 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.006 -1.452 . . . . 0.0 111.17 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -109.18 147.19 32.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.565 0.698 . . . . 0.0 110.566 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.693 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.7 m-85 -130.64 152.98 49.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.328 -1.306 . . . . 0.0 110.203 176.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -134.28 130.79 37.6 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.92 134.39 25.47 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.648 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.99 -11.08 27.01 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.937 2.425 . . . . 0.0 112.811 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 9.2 p -137.28 6.79 2.83 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.181 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.19 -141.25 3.15 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.115 -169.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.558 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -81.03 -177.21 6.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.846 -0.677 . . . . 0.0 111.165 -175.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.31 135.8 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.401 0.62 . . . . 0.0 110.344 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -124.94 145.87 49.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.465 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -138.36 10.79 2.76 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.657 0.742 . . . . 0.0 110.119 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -118.13 144.67 45.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.009 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.74 ' CE1' HD11 ' A' ' 567' ' ' ILE . 24.7 t80 -57.29 -49.96 90.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.596 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.596 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 34.5 Cg_endo -63.78 -14.93 45.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.341 2.027 . . . . 0.0 112.512 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -86.08 -27.32 24.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.233 0.54 . . . . 0.0 111.019 176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.5 t -78.21 -45.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.74 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.5 mm -57.42 -33.19 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-O 121.048 0.451 . . . . 0.0 111.766 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.596 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.1 ptpt -74.5 -38.24 62.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.653 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.92 -40.8 95.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.977 0.417 . . . . 0.0 109.876 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.4 mt -68.0 -40.81 82.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 56.1 m -72.14 -40.63 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.888 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 79.0 mtp180 -72.77 -25.65 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.942 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -117.57 -162.93 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.18 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.1 t -124.18 117.75 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.0 110.338 175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.26 111.0 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.82 -31.32 9.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.233 -172.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 18.7 m -70.24 -44.29 68.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.037 0.446 . . . . 0.0 111.258 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.15 135.82 61.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.121 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.2 175.52 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.34 -31.94 55.6 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.483 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.41 ' HA ' ' NH1' ' A' ' 518' ' ' ARG . 10.5 pt-20 -60.53 -30.31 69.67 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 40.9 m80 -73.75 -11.61 60.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.294 0.568 . . . . 0.0 111.006 -178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.539 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.9 m-85 -106.75 126.33 52.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.363 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 46.8 t -135.47 134.65 39.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.2 -5.12 19.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.7 m -63.95 120.22 61.96 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 120.764 0.316 . . . . 0.0 111.134 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.96 11.83 1.9 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.222 2.614 . . . . 0.0 112.187 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.26 2.72 34.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.8 tpp -97.34 102.82 13.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.669 172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.492 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 72.6 Cg_endo -79.44 72.49 6.49 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.875 2.383 . . . . 0.0 112.596 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.787 HG23 ' HG3' ' A' ' 589' ' ' MET . 78.6 t -107.6 -72.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.65 -105.94 0.91 Allowed Glycine 0 CA--C 1.502 -0.721 0 C-N-CA 119.761 -1.209 . . . . 0.0 112.868 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -113.61 137.81 51.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-O 121.203 0.525 . . . . 0.0 110.235 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -119.7 131.87 55.52 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.042 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -127.78 153.09 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.433 ' HB2' HD11 ' A' ' 609' ' ' LEU . 6.6 tp10 -131.04 120.21 23.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.99 124.41 26.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -133.98 157.83 45.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -173.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.15 143.42 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 0.0 110.779 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.595 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.4 p -135.38 165.05 39.29 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.361 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.1 Cg_endo -61.7 -11.4 20.4 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.715 2.277 . . . . 0.0 112.847 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.58 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.9 pt-20 -102.11 -16.05 16.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.258 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 140.39 -170.76 24.27 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.386 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.2 mt -81.85 124.81 30.01 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.493 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.9 pt20 -139.38 150.5 45.38 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.377 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -88.23 111.29 21.49 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.31 124.21 44.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.201 0.524 . . . . 0.0 110.684 -177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -74.25 134.81 42.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 596' ' ' GLU . 20.1 mt -97.76 145.17 26.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.967 -175.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.9 m -85.61 166.88 15.86 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.59 -33.29 54.36 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.63 -29.12 62.16 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -81.92 -29.27 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.3 mt -46.52 -58.39 6.81 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 21.0 Cg_endo -61.3 -33.6 89.22 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.425 2.084 . . . . 0.0 112.555 -175.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.07 -32.42 72.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.239 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 539' ' ' ILE . 3.5 mpt_? -72.95 -45.28 58.91 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.965 173.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 614' ' ' ILE . 53.9 mt -57.33 -39.44 67.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.161 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.591 ' O ' ' HB ' ' A' ' 622' ' ' THR . 29.1 mm-40 -56.97 -34.64 68.27 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 624' ' ' SER . . . -73.53 -45.72 51.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.131 0.491 . . . . 0.0 110.706 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 28.4 pt -79.47 -1.46 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.959 0.885 . . . . 0.0 110.181 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.591 ' HB ' ' O ' ' A' ' 619' ' ' GLN . 1.2 m -73.83 -27.18 60.98 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.603 175.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 138.51 31.33 0.21 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.375 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 620' ' ' ALA . 17.3 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.985 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -91.44 165.49 13.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -167.61 124.25 1.13 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.0 mt -117.68 141.01 38.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.71 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -112.61 152.14 29.27 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -102.19 142.93 25.58 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.206 175.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.76 -43.97 51.65 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.111 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -56.38 -41.74 76.72 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.923 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 16.6 mm-40 -72.84 -32.5 65.52 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.424 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.568 ' O ' ' HD2' ' A' ' 528' ' ' PRO . 97.7 t -67.76 -30.81 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.458 ' HB3' ' CG1' ' A' ' 591' ' ' VAL . 9.1 ptm180 -81.97 -15.68 52.97 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.711 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -52.91 -50.77 79.76 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.535 179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.7 Cg_exo -59.1 -35.49 97.94 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.245 1.964 . . . . 0.0 112.096 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.8 mt -64.01 -24.2 67.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.616 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.419 HE21 HD22 ' A' ' 527' ' ' LEU . 12.9 mt-30 -84.56 -21.28 30.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 -178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -96.59 -23.38 16.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.523 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . 0.418 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 147.73 -25.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.622 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.624 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 67.6 m95 -62.0 152.63 31.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.728 0.299 . . . . 0.0 110.242 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -131.52 158.18 41.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 537' ' ' VAL . 0.0 OUTLIER -143.52 120.22 11.16 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 120.067 -0.653 . . . . 0.0 110.468 178.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -114.73 137.81 51.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.554 HG23 ' CZ ' ' A' ' 535' ' ' ARG . 78.0 t -116.44 120.85 66.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.774 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.49 119.39 38.79 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.837 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.71 122.99 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 121.3 0.572 . . . . 0.0 110.405 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -127.21 144.7 50.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.612 -178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.443 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 21.9 tptm -76.71 126.64 31.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.128 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.431 ' O ' ' HE2' ' A' ' 541' ' ' LYS . . . -97.66 165.59 22.36 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.236 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.2 t -71.62 -16.31 62.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.079 0.466 . . . . 0.0 110.3 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -109.48 -46.03 3.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.985 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -152.74 -177.99 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.52 0.676 . . . . 0.0 111.851 -175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.443 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 54.1 m95 -89.25 124.56 34.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.844 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -130.67 164.2 25.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.73 0.776 . . . . 0.0 111.914 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.71 152.03 23.85 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.588 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.94 148.95 45.75 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.522 0.677 . . . . 0.0 110.669 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.475 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 97.2 m -107.74 125.88 51.94 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . 0.491 ' CE3' ' HD2' ' A' ' 559' ' ' ARG . 8.8 m0 -109.98 149.3 30.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.637 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.42 ' CE1' ' HD1' ' A' ' 583' ' ' PHE . 15.9 m-85 -132.79 155.92 48.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.902 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -134.9 133.2 39.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.542 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.92 130.31 19.57 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 173.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . 0.418 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 52.9 Cg_endo -69.11 -15.48 39.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.629 2.219 . . . . 0.0 112.122 -175.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 57.9 m -129.34 5.6 5.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.81 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -144.51 3.94 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.495 -169.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.418 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.4 OUTLIER -80.08 -176.53 5.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.953 -0.624 . . . . 0.0 112.464 -173.309 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.491 ' HD2' ' CE3' ' A' ' 551' ' ' TRP . 36.1 ttp180 -106.09 133.09 51.35 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.451 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -124.37 143.58 50.51 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 11.88 2.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.889 0.852 . . . . 0.0 109.525 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.461 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.7 mm100 -118.84 145.57 45.56 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.289 -1.323 . . . . 0.0 109.069 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.757 ' CE1' HD11 ' A' ' 567' ' ' ILE . 14.6 t80 -57.27 -49.08 95.97 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.403 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 31.8 Cg_endo -63.08 -15.62 49.12 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.555 2.17 . . . . 0.0 112.882 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 56.7 mt-10 -83.4 -28.85 28.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.351 0.596 . . . . 0.0 110.856 177.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.624 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 63.1 t -78.84 -44.46 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.581 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.757 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -59.15 -32.86 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.149 0.5 . . . . 0.0 111.304 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.5 ptpt -74.59 -37.06 63.0 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.862 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -66.7 -40.6 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 33.9 mt -67.45 -37.69 83.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.2 t -74.19 -44.39 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.933 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -75.45 -34.24 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.817 -175.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 573' ' ' ASN . 0.8 OUTLIER -102.81 176.95 4.99 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.211 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.32 117.22 41.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 34.2 t -137.82 104.64 3.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -104.39 -13.33 16.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.712 -173.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 10.5 p -94.02 -44.78 7.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.273 0.559 . . . . 0.0 111.723 -175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.5 m -118.54 141.22 39.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.849 -175.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -113.28 173.59 6.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.458 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.9 -32.15 52.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -178.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.12 -23.91 66.83 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -77.79 -12.68 60.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.208 0.528 . . . . 0.0 110.805 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 54.7 m-85 -108.41 124.84 51.0 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.43 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 56.3 p -135.28 133.03 38.48 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.475 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 63.4 m-85 -101.22 -0.66 35.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.112 0.482 . . . . 0.0 111.133 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.6 m -61.52 113.8 9.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.94 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.78 10.25 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.584 2.189 . . . . 0.0 112.32 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -93.17 -1.42 56.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 109.747 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 50.9 tpp -91.95 109.52 37.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.629 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.93 52.49 4.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.184 2.59 . . . . 0.0 112.323 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 526' ' ' ARG . 25.7 t -140.03 119.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 110.53 -154.15 16.74 Favored Glycine 0 N--CA 1.435 -1.412 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -166.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -113.52 138.39 50.2 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.299 0.571 . . . . 0.0 111.171 -177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.425 ' HB3' HD12 ' A' ' 609' ' ' LEU . 13.3 m-85 -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.254 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.39 152.42 49.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.458 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.431 ' HB2' HD11 ' A' ' 609' ' ' LEU . 38.5 tt0 -135.38 126.87 28.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.529 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 606' ' ' TRP . 36.1 tt0 -75.1 121.0 21.38 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.351 0.595 . . . . 0.0 109.59 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -130.74 159.3 37.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.327 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -94.41 134.84 36.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.54 0.686 . . . . 0.0 111.177 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 18.6 p -128.82 164.21 40.12 Favored Pre-proline 0 C--N 1.313 -0.984 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.899 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.1 Cg_endo -60.14 -15.33 33.52 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.664 2.242 . . . . 0.0 112.613 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.442 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 8.6 pt-20 -99.14 -11.16 21.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.864 0.364 . . . . 0.0 110.794 176.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 131.91 -161.96 23.82 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 119.885 -1.15 . . . . 0.0 113.867 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.24 122.41 30.19 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.562 0.696 . . . . 0.0 110.728 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.414 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.5 pt20 -138.94 153.45 48.22 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 597' ' ' GLU . 53.5 m95 -91.01 110.47 21.73 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 24.3 t -93.56 130.16 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.002 0.43 . . . . 0.0 110.091 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -73.34 135.55 44.34 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.719 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.8 mt -96.2 143.31 27.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 614' ' ' ILE . 37.8 m -84.67 165.5 17.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.83 -31.73 50.36 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.58 -36.12 78.29 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.98 0.419 . . . . 0.0 110.486 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.17 -29.47 38.75 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.7 mt -46.48 -58.78 6.03 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.33 -177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.622 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 24.9 Cg_endo -62.29 -31.54 81.91 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.371 2.047 . . . . 0.0 112.814 -175.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 32.3 t -66.87 -37.58 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.135 0.493 . . . . 0.0 109.714 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.428 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.3 mpt_? -71.94 -39.87 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.334 175.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.627 ' O ' ' HB ' ' A' ' 622' ' ' THR . 64.7 mt -57.17 -38.99 64.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.907 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.96 -33.84 75.03 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.2 -45.15 34.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 617' ' ' ARG . 40.0 pt -83.09 -2.25 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.541 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -75.66 -17.07 60.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.896 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 142.89 57.54 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.097 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 C--O 1.253 1.238 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.151 176.166 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -106.06 149.62 26.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.973 0.416 . . . . 0.0 111.218 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -108.66 115.61 30.42 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.442 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.6 mt -118.58 132.68 67.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -96.98 149.78 21.52 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.186 -175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -102.38 144.58 28.9 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.972 173.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.3 -42.77 62.76 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.791 2.327 . . . . 0.0 112.225 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -58.52 -39.98 81.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.704 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -72.12 -30.68 65.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.452 175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.73 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -74.84 -31.3 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.911 0.386 . . . . 0.0 111.198 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 11.8 ptm85 -80.74 -15.11 57.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.937 174.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.417 HD22 ' NE2' ' A' ' 530' ' ' GLN . 0.2 OUTLIER -50.8 -49.88 77.04 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 122.58 0.352 . . . . 0.0 111.324 177.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.582 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 51.2 Cg_exo -57.08 -37.19 98.92 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.419 2.08 . . . . 0.0 112.188 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.549 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 57.5 mt -64.97 -27.17 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.611 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 50.3 mt-30 -77.49 -22.05 51.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.653 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -101.13 -24.15 14.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.457 0.539 . . . . 0.0 112.457 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.83 -27.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.979 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.549 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.0 m95 -63.2 157.88 21.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.731 0.301 . . . . 0.0 110.286 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -131.88 159.43 38.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.643 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.4 ttt180 -146.65 119.29 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.675 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -115.18 141.5 47.94 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.353 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.13 119.62 62.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.153 0.501 . . . . 0.0 109.787 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 538' ' ' ARG . 19.5 mtp180 -104.46 118.36 36.41 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.271 -176.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 44.7 mt -113.97 122.78 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 121.445 0.641 . . . . 0.0 110.647 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -127.74 147.73 50.41 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.006 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.7 tptm -82.06 126.51 32.08 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.96 168.83 22.55 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.821 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.5 m -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -108.15 -59.13 1.9 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -140.96 -179.87 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.454 0.645 . . . . 0.0 112.085 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.513 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.3 m95 -87.23 124.18 33.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.525 174.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.24 163.55 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.363 0.601 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.75 151.67 23.55 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -139.04 148.17 43.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.308 0.575 . . . . 0.0 110.619 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.477 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 58.5 m -108.35 126.05 52.42 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.072 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -109.91 148.91 30.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.556 0.693 . . . . 0.0 110.617 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.643 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 16.4 m-85 -131.26 153.07 49.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.454 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -136.17 130.71 33.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.22 135.36 27.55 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.237 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.33 -13.04 27.95 Favored 'Trans proline' 0 CA--C 1.527 0.132 0 C-N-CA 122.895 2.397 . . . . 0.0 112.529 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 36.7 m -135.83 6.15 3.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.952 -175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -158.73 -147.11 4.74 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 119.606 -1.283 . . . . 0.0 113.241 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -178.0 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.155 -0.522 . . . . 0.0 111.663 -174.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.493 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.1 OUTLIER -118.9 142.68 47.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.025 0.441 . . . . 0.0 110.565 -179.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -130.1 150.84 51.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.976 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 10.96 2.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.619 0.723 . . . . 0.0 109.811 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.487 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.4 mm100 -117.29 145.22 44.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.198 174.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 567' ' ' ILE . 16.1 t80 -59.96 -49.15 92.66 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.629 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 36.0 Cg_endo -63.81 -12.61 32.54 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.421 2.081 . . . . 0.0 112.359 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 58.7 mm-40 -89.8 -25.59 21.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.333 0.587 . . . . 0.0 110.921 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 46.3 t -78.08 -45.17 27.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.32 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.677 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.2 mm -57.64 -32.68 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.189 0.519 . . . . 0.0 111.358 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.53 ' HE2' ' O ' ' A' ' 564' ' ' PRO . 1.2 ptpm? -73.85 -36.61 64.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.17 -41.69 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 22.9 mt -67.74 -30.95 70.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.6 t -73.44 -43.64 59.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.931 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 572' ' ' ARG . 19.2 mtp180 -71.38 -35.87 71.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.774 -176.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -110.32 165.46 11.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.234 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 61.7 t -93.13 116.86 35.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.55 141.9 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -137.14 -34.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 111.203 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 32.7 m -68.79 -37.29 79.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.133 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.6 m -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.401 0.619 . . . . 0.0 111.874 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -113.05 175.11 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.467 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.78 -32.23 51.74 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.57 -28.42 65.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 45.3 m80 -75.61 -11.93 60.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.252 0.548 . . . . 0.0 111.052 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.53 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 52.0 m-85 -109.2 125.61 52.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.534 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 76.4 p -136.27 140.62 43.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.477 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 64.4 m-85 -108.5 -1.69 19.55 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.83 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 25.8 m -61.62 118.68 40.21 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.776 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.39 11.37 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.64 2.227 . . . . 0.0 112.708 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.449 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 76.0 mtp180 -90.58 -4.92 56.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.758 ' HG3' HG23 ' A' ' 591' ' ' VAL . 47.8 tpp -94.31 105.23 16.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.739 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 614' ' ' ILE . 86.9 Cg_endo -82.67 64.07 8.08 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 123.289 2.659 . . . . 0.0 112.966 -175.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.5 t -102.82 -69.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -173.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.05 -103.34 1.43 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.575 -1.298 . . . . 0.0 112.5 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -112.66 138.89 48.8 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.322 0.582 . . . . 0.0 111.036 -176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.5 m-85 -121.24 132.09 54.61 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.819 174.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -130.1 155.09 46.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.388 . . . . 0.0 110.517 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.2 127.61 38.27 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -74.12 124.77 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -135.19 157.26 47.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.5 137.41 37.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.811 0.815 . . . . 0.0 110.868 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.605 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.9 p -128.86 164.64 37.32 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.748 178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 25.4 Cg_endo -61.95 -11.27 20.62 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.537 2.158 . . . . 0.0 112.574 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.605 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.7 pt-20 -101.73 -13.91 17.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.933 0.397 . . . . 0.0 110.406 176.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 135.02 -163.09 24.83 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.484 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.4 125.71 33.2 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 110.997 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -139.36 151.54 46.43 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.968 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -86.95 111.36 20.75 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.7 125.74 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.347 0.594 . . . . 0.0 110.253 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.11 135.87 42.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.099 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 27.5 mt -94.49 142.09 27.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 18.6 m -79.81 165.96 22.21 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -55.73 -30.91 61.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.646 0.26 . . . . 0.0 111.403 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -73.99 -29.61 62.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.794 0.331 . . . . 0.0 111.151 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -81.89 -29.09 32.58 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.701 0.286 . . . . 0.0 110.911 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 611' ' ' ALA . 32.2 mt -46.01 -58.42 6.37 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.196 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 25.5 Cg_endo -61.63 -29.63 84.37 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.515 2.143 . . . . 0.0 112.645 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 37.0 t -64.21 -40.69 96.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 109.912 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.418 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.1 mpt_? -73.55 -40.06 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.617 ' O ' ' HB ' ' A' ' 622' ' ' THR . 63.3 mt -57.21 -39.36 66.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 25.1 mm-40 -58.76 -35.28 72.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.86 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -80.6 -43.32 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 617' ' ' ARG . 45.6 pt -82.89 -5.41 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.119 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -64.29 129.28 39.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.859 0.838 . . . . 0.0 111.027 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -169.87 41.68 0.2 Allowed Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.074 -0.965 . . . . 0.0 109.344 -176.367 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.708 0.29 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -68.37 146.82 52.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.444 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 2.8 tmm_? -76.6 120.59 22.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.04 141.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.14 -177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -114.63 149.09 37.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.103 0.478 . . . . 0.0 111.186 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.51 144.49 28.76 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.19 173.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.33 -42.9 57.67 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.559 2.173 . . . . 0.0 112.305 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.15 -39.17 78.09 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 11.8 mm-40 -72.19 -34.02 68.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.712 ' HB ' HG21 ' A' ' 591' ' ' VAL . 68.9 t -69.8 -31.75 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.745 0.307 . . . . 0.0 111.464 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 16.0 ptm180 -80.04 -16.75 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.232 -0.292 . . . . 0.0 111.251 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.51 -53.67 43.27 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 178.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 23.1 Cg_endo -63.34 -27.84 71.64 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.209 1.939 . . . . 0.0 112.185 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 25.8 mt -66.35 -19.66 65.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.297 0.57 . . . . 0.0 110.146 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 30.1 mt-30 -87.27 -12.0 47.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.14 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -122.89 56.32 1.16 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 83.83 -42.59 3.07 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.186 -1.007 . . . . 0.0 114.005 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.556 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 77.2 m95 -60.38 152.31 25.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.518 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.33 160.11 34.06 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.706 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 2.3 ttt180 -144.13 118.7 9.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.422 -0.511 . . . . 0.0 109.696 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.12 136.27 52.69 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.899 -175.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.15 125.9 73.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.053 0.454 . . . . 0.0 110.914 -173.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -106.12 122.61 46.54 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.458 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.81 124.39 70.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.291 0.567 . . . . 0.0 110.83 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -131.04 146.33 52.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.242 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.433 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.0 tptm -77.97 130.3 36.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.256 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -106.84 169.01 14.72 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.772 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.8 m -72.07 -20.75 61.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.081 0.467 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -102.95 -50.25 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.648 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -153.3 -177.4 6.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.611 . . . . 0.0 111.199 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.433 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 55.4 m95 -85.11 125.07 32.48 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.415 173.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -125.78 157.66 36.92 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.656 0.741 . . . . 0.0 111.505 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -151.24 151.1 23.12 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.542 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -141.21 149.39 41.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.934 0.873 . . . . 0.0 111.128 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.509 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -106.22 126.67 52.51 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.817 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -108.14 147.54 31.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.829 0.823 . . . . 0.0 110.563 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.706 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 14.7 m-85 -131.21 153.47 49.43 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.864 -1.516 . . . . 0.0 110.18 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -135.19 129.27 33.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -71.8 129.96 16.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.46 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.64 -17.54 48.02 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.711 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 63.0 m -128.47 5.6 5.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.426 -175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.09 -141.98 3.32 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.391 -169.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -177.13 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.018 -0.591 . . . . 0.0 111.759 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.552 ' H ' ' NE ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -120.7 140.38 51.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 175.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -128.25 149.03 50.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.768 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.513 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.63 9.24 2.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.645 0.736 . . . . 0.0 109.685 174.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -119.82 145.36 46.7 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.575 176.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.7 t80 -57.66 -49.89 91.2 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.966 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.555 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 42.3 Cg_endo -66.25 -13.73 41.16 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.024 1.816 . . . . 0.0 112.336 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -85.16 -27.06 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.331 0.586 . . . . 0.0 110.548 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.587 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 47.2 t -78.64 -46.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.626 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -58.82 -32.82 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.072 0.463 . . . . 0.0 111.245 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.555 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.4 ptpt -74.15 -37.02 64.15 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.567 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.49 -41.78 99.05 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.3 mt -68.34 -32.29 72.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.117 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 37.0 m -74.11 -44.25 54.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.263 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.4 mtp180 -75.54 -32.27 60.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.359 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -111.54 178.99 4.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.831 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.13 117.79 55.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.797 0.332 . . . . 0.0 110.214 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 35.4 t -141.23 110.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . 0.408 ' HA ' ' NH1' ' A' ' 579' ' ' ARG . 7.2 p-80 -111.63 -11.77 13.99 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 31.5 p -80.21 -44.55 19.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.265 0.555 . . . . 0.0 110.704 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.464 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.9 m -121.88 141.88 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.728 -177.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.446 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 24.3 mmt180 -112.64 173.14 6.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.529 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.518 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.15 -32.28 54.9 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.0 pt-20 -61.01 -26.36 67.55 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.0 m80 -76.55 -12.36 60.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.318 0.58 . . . . 0.0 110.735 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.463 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 36.1 m-85 -108.03 127.63 53.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.486 -178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 74.6 p -136.39 137.89 41.0 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 57.2 m-85 -106.88 -2.82 20.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.669 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 62.8 m -62.08 118.03 35.4 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.5 13.31 1.16 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.933 2.422 . . . . 0.0 112.454 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 590' ' ' PRO . 17.6 mtm180 -98.37 -0.64 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -94.82 104.12 13.6 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.987 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 588' ' ' ARG . 85.5 Cg_endo -82.22 67.54 8.06 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.987 2.458 . . . . 0.0 112.576 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 84.5 t -104.98 -68.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -92.74 -108.63 1.8 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.523 -1.322 . . . . 0.0 112.509 -173.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -110.8 138.88 46.64 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.59 0.709 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -122.25 132.49 54.45 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.373 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.13 155.05 43.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 609' ' ' LEU . 4.7 tp10 -134.08 123.89 25.24 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.763 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.74 124.93 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.125 0.488 . . . . 0.0 109.707 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -134.49 157.55 46.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.933 -174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.59 137.23 37.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 0.0 111.358 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.9 p -131.94 164.23 44.48 Favored Pre-proline 0 C--N 1.316 -0.891 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.128 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.5 Cg_endo -62.32 -10.83 19.9 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 122.631 2.221 . . . . 0.0 112.677 176.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.1 pt-20 -101.85 -14.82 17.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.007 0.432 . . . . 0.0 110.211 176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.38 -169.84 24.12 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.012 -1.09 . . . . 0.0 113.854 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.3 mt -82.33 122.49 28.03 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.314 0.578 . . . . 0.0 110.043 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.482 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.7 pt20 -138.06 150.46 46.93 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.153 -0.93 . . . . 0.0 108.847 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -88.72 111.73 22.32 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.79 126.68 45.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.328 0.585 . . . . 0.0 110.514 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -73.31 134.7 44.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.958 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 596' ' ' GLU . 26.7 mt -98.2 145.73 26.32 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -175.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 614' ' ' ILE . 3.8 m -81.36 166.55 20.35 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 173.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.71 -35.78 56.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.195 0.309 . . . . 0.0 111.654 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -78.68 -24.33 45.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.751 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.86 -28.64 32.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.016 0.436 . . . . 0.0 110.261 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.2 mt -46.64 -58.45 6.8 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.947 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.58 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.5 Cg_endo -62.16 -29.88 81.34 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.362 2.042 . . . . 0.0 112.83 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 22.5 t -69.56 -34.22 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.338 0.59 . . . . 0.0 109.663 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.63 -42.39 64.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.542 173.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 614' ' ' ILE . 66.9 mt -56.97 -39.79 68.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.047 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.7 mm-40 -57.85 -35.42 70.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.73 44.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.951 0.405 . . . . 0.0 111.196 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 41.5 pt -86.24 -2.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 5.7 t -66.6 163.89 17.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.239 0.542 . . . . 0.0 111.487 -175.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -166.54 48.25 0.26 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.688 -0.673 . . . . 0.0 110.271 -179.797 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -97.42 137.57 36.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.714 0.292 . . . . 0.0 110.3 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.483 ' NH1' ' HA ' ' A' ' 581' ' ' GLU . 3.1 tmm_? -83.43 113.55 20.84 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 175.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.36 142.09 23.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.087 -175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -113.94 149.63 34.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.06 144.66 29.08 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 176.433 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.79 -42.89 60.2 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.746 2.297 . . . . 0.0 112.212 -178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.69 -42.15 78.58 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 178.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 23.0 mm-40 -73.1 -33.6 65.69 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.613 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.724 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.5 t -70.99 -34.29 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.052 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.586 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.6 ptm180 -78.89 -15.28 58.55 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.228 -0.295 . . . . 0.0 111.266 176.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.71 -54.8 32.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 122.801 0.44 . . . . 0.0 111.856 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.3 Cg_endo -60.34 -26.68 83.25 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.322 2.015 . . . . 0.0 112.363 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 37.4 mt -68.8 -20.28 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -92.49 -7.46 47.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.337 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -104.39 -29.88 10.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 155.33 -24.83 0.59 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 119.977 -1.106 . . . . 0.0 112.788 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 528' ' ' PRO . 42.4 m95 -69.29 162.7 26.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.757 0.313 . . . . 0.0 110.614 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.433 ' HA ' HD22 ' A' ' 529' ' ' LEU . 79.2 ttt180 -137.36 161.37 36.47 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 172.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 5.0 ttt180 -144.42 119.56 10.11 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.525 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -116.55 141.69 47.85 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.497 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 53.1 t -118.13 120.55 64.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.257 0.551 . . . . 0.0 109.929 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -105.05 119.78 39.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.097 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 31.9 mt -113.48 123.34 69.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.56 0.695 . . . . 0.0 110.675 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -130.5 146.55 52.06 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.222 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.446 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.5 tptm -76.32 124.61 27.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -98.13 168.3 23.23 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.525 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 6.6 m -66.94 -29.52 69.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.592 . . . . 0.0 110.217 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -98.0 -59.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.248 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -140.28 -178.47 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 111.396 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.446 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 30.0 m95 -83.77 124.35 30.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.074 174.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -127.12 154.57 44.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.672 0.748 . . . . 0.0 112.043 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.4 150.27 22.51 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.652 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -136.38 148.06 47.64 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.51 0.671 . . . . 0.0 110.281 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . . . . . . . . . 70.5 m -107.98 126.45 52.73 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.601 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -107.65 147.57 30.51 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.983 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.6 OUTLIER -132.99 149.2 52.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.086 177.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -132.6 133.08 43.21 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.552 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.68 136.99 29.95 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -51.18 -30.16 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 123.173 2.582 . . . . 0.0 113.583 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.22 -25.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.274 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -83.41 -150.49 10.03 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.896 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.96 -177.95 4.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.064 -177.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.417 ' HD3' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -121.26 141.5 50.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.386 0.612 . . . . 0.0 110.664 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.454 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -123.36 144.84 49.2 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.685 -176.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -122.23 -3.61 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -115.67 144.92 43.25 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.388 -175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.691 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.5 t80 -58.84 -48.66 96.39 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.305 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 34.8 Cg_endo -63.62 -14.15 40.89 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.338 2.025 . . . . 0.0 112.395 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 67.5 mm-40 -84.84 -26.97 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.353 0.597 . . . . 0.0 111.096 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 61.8 t -79.74 -44.1 23.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.614 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -58.83 -32.55 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 121.282 0.563 . . . . 0.0 111.172 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.43 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.9 ptpt -74.52 -38.61 62.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.666 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -61.78 -44.12 97.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.236 -176.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.4 mt -67.97 -39.89 83.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.368 -177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.7 m -72.79 -35.11 67.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.863 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -77.6 -36.98 51.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 111.06 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -102.2 -171.34 1.95 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.176 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.55 116.41 52.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 58.9 t -142.65 120.25 7.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -114.04 -30.82 6.56 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.463 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 15.7 m -69.42 -44.37 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.49 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.95 137.75 49.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.42 0.629 . . . . 0.0 112.59 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -113.35 171.38 7.59 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.47 -32.45 57.76 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -177.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.483 ' HA ' ' NH1' ' A' ' 518' ' ' ARG . 12.2 pt-20 -58.44 -28.9 65.72 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 35.5 m80 -74.35 -11.76 60.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.366 0.603 . . . . 0.0 111.023 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.429 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 59.8 m-85 -108.64 128.19 54.62 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.79 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.3 t -135.49 134.51 39.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -108.33 -2.43 19.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.806 0.336 . . . . 0.0 111.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 21.1 m -61.74 117.39 27.89 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.55 172.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -74.54 11.59 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.63 2.22 . . . . 0.0 112.259 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 588' ' ' ARG . 48.1 mtm180 -94.74 -2.67 50.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.747 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.9 tpp -96.47 106.35 28.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.417 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.513 ' HB3' HG21 ' A' ' 614' ' ' ILE . 92.7 Cg_endo -82.89 67.48 7.78 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 123.238 2.625 . . . . 0.0 112.928 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 589' ' ' MET . 76.8 t -104.96 -73.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -86.44 -95.42 0.84 Allowed Glycine 0 C--N 1.336 0.542 0 C-N-CA 119.532 -1.318 . . . . 0.0 112.857 -170.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.49 138.57 54.55 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.9 m-85 -123.01 132.54 54.18 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.336 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -129.85 155.26 46.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.798 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -134.31 129.37 35.44 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.23 126.27 30.24 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.155 0.502 . . . . 0.0 110.034 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -134.02 156.73 47.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.979 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -102.9 145.47 29.76 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.546 0.688 . . . . 0.0 111.094 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.621 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 20.6 p -136.41 165.21 37.17 Favored Pre-proline 0 C--N 1.305 -1.353 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.324 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.554 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.7 Cg_endo -60.23 -10.37 12.84 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.937 2.424 . . . . 0.0 112.709 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.621 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 13.3 pt-20 -102.11 -15.78 16.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.042 0.449 . . . . 0.0 110.143 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.48 -174.98 20.46 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.642 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.6 121.72 20.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.212 0.53 . . . . 0.0 110.663 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.463 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.2 pt20 -135.79 145.97 47.08 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.633 178.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -88.54 111.83 22.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.7 t -92.36 127.1 44.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.189 0.518 . . . . 0.0 110.462 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -74.23 136.59 42.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.003 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.17 142.85 27.84 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.495 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.2 m -79.48 167.04 21.33 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.99 -32.4 61.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 111.392 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.16 -25.89 47.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.559 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -82.04 -29.52 31.89 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 611' ' ' ALA . 43.5 mt -47.77 -58.72 7.01 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.073 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 18.7 Cg_endo -59.97 -30.95 92.84 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.542 2.162 . . . . 0.0 112.616 -175.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 14.6 m -66.25 -39.64 89.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.027 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -72.6 -39.18 67.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.845 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.0 mt -56.48 -41.9 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.843 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.0 mm-40 -56.43 -34.97 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.094 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -79.2 -43.85 23.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.735 0.302 . . . . 0.0 111.006 -177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.5 pt -77.81 -3.19 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.491 0.662 . . . . 0.0 110.177 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.1 m -77.83 119.92 22.0 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.143 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -153.58 69.39 0.3 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.099 -178.793 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 56.0 mtm180 -76.58 137.34 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.146 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 581' ' ' GLU . 4.2 tmt_? 68.0 117.58 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 124.134 0.896 . . . . 0.0 111.46 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.9 mt -96.36 141.3 15.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.112 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.64 151.05 19.93 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.629 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.8 OUTLIER -100.48 147.68 33.92 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.505 177.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.1 -42.49 64.38 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.791 2.327 . . . . 0.0 112.116 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 526' ' ' ARG . 13.2 pt-20 -60.29 -37.91 81.96 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.69 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 27.9 mm-40 -72.09 -33.64 68.05 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 175.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.716 ' HB ' HG21 ' A' ' 591' ' ' VAL . 67.4 t -71.79 -31.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.833 0.349 . . . . 0.0 111.348 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 7.7 ptm180 -79.94 -15.64 56.88 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.352 -0.218 . . . . 0.0 111.197 174.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.22 -49.65 74.84 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 122.361 0.264 . . . . 0.0 111.213 177.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.569 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.4 Cg_exo -55.73 -37.85 95.03 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.43 2.087 . . . . 0.0 112.376 174.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 60.3 mt -63.08 -25.24 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.511 -178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -85.72 -8.03 58.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.46 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -128.12 55.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.521 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.08 -45.93 3.54 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.128 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.8 m95 -60.85 156.46 17.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -175.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -133.38 161.33 34.81 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.741 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.5 tmt_? -147.77 119.42 8.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.116 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -114.52 142.18 46.74 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.403 -177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.5 116.79 53.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -107.56 118.02 35.62 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.245 -174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 41.9 mt -110.74 123.62 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 121.544 0.688 . . . . 0.0 110.472 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.89 144.19 50.77 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.44 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.35 122.74 22.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -86.89 168.43 39.31 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.576 -176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 8.4 m -64.7 -27.35 68.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.199 0.523 . . . . 0.0 110.257 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -109.12 -58.83 1.97 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.875 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -135.74 -173.25 3.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.079 0.466 . . . . 0.0 111.365 -176.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -85.86 124.84 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.446 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -128.64 161.16 30.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.576 0.703 . . . . 0.0 111.856 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.13 151.66 23.41 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.091 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -139.2 150.28 45.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.878 0.847 . . . . 0.0 111.387 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 27.5 m -104.47 126.68 51.78 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.016 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -107.97 146.05 33.01 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.637 0.732 . . . . 0.0 110.425 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.741 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.2 m-85 -130.98 152.81 49.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.083 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -135.18 130.11 34.82 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.82 131.41 25.9 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.446 -176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.16 6.6 2.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.169 -175.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.89 -142.18 3.34 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.031 -1.08 . . . . 0.0 112.993 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.49 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -78.62 -177.41 5.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.341 -0.429 . . . . 0.0 111.263 -176.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -120.87 142.67 49.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.143 0.497 . . . . 0.0 110.338 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -127.94 145.0 51.1 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.901 -177.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -135.03 11.97 3.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.884 0.85 . . . . 0.0 109.397 176.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.473 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.0 OUTLIER -121.93 145.13 48.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.494 174.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.6 t80 -58.23 -49.62 92.6 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.788 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 40.9 Cg_endo -65.18 -13.6 40.63 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.269 1.979 . . . . 0.0 112.422 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 35.4 mm-40 -86.93 -25.89 24.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.146 0.498 . . . . 0.0 110.929 176.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.16 -44.1 27.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.432 178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 563' ' ' PHE . 12.6 mm -57.67 -33.41 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -178.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.8 ptpt -74.2 -37.8 63.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.834 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.12 -42.03 97.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -177.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.56 -38.56 84.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.39 -177.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 40.9 m -72.68 -41.22 65.58 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.521 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 28.8 mtp180 -78.61 -19.16 53.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.378 -176.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -118.76 -171.24 2.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.038 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 76.6 t -114.52 116.54 52.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 22.7 t -144.83 110.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.006 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -109.09 -25.76 10.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.2 m -69.44 -44.49 71.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.079 0.466 . . . . 0.0 110.605 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 528' ' ' PRO . 15.7 m -121.48 138.72 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.449 0.643 . . . . 0.0 112.309 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.452 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 23.2 mmm180 -112.42 175.47 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.441 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -55.2 -31.28 61.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.345 0.521 . . . . 0.0 111.781 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 518' ' ' ARG . 10.8 pt-20 -61.31 -21.74 64.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.0 m80 -82.45 -10.71 58.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.583 0.706 . . . . 0.0 110.634 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.581 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 72.4 m-85 -107.08 127.18 53.26 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.546 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 49.0 m -136.11 132.05 35.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.485 ' CE1' ' HD2' ' A' ' 552' ' ' TYR . 53.5 m-85 -103.23 -0.45 30.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.788 -176.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 24.4 m -62.85 117.62 34.13 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.696 171.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.8 11.42 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.006 2.471 . . . . 0.0 112.081 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -100.37 2.26 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.814 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.6 tpp -97.83 104.5 21.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.216 176.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 90.6 Cg_endo -81.51 70.54 7.29 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.985 2.457 . . . . 0.0 112.712 -177.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.5 t -105.43 -70.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.52 -109.91 1.45 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.684 -1.246 . . . . 0.0 112.266 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -109.62 139.22 44.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-O 121.369 0.604 . . . . 0.0 110.582 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 11.0 m-85 -120.31 132.71 55.42 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.299 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.79 155.14 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.158 0.504 . . . . 0.0 110.653 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -131.11 127.22 37.68 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.281 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -74.68 120.3 20.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -136.8 156.9 47.9 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.113 -172.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.39 143.16 30.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.863 0.839 . . . . 0.0 110.882 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.8 p -135.75 164.84 40.5 Favored Pre-proline 0 C--N 1.305 -1.366 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.18 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 19.5 Cg_endo -59.24 -14.97 26.58 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.873 2.382 . . . . 0.0 112.859 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.578 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.1 pt-20 -97.14 -17.96 19.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.13 0.49 . . . . 0.0 110.265 176.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.68 -164.99 25.15 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.222 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 67.1 mt -83.25 122.47 28.46 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.446 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.8 pt20 -137.05 151.0 48.43 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.979 177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -88.56 110.2 20.7 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 50.8 t -93.84 128.8 44.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.208 0.528 . . . . 0.0 110.529 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -74.13 135.68 42.9 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.063 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.4 mt -96.1 142.61 28.08 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.453 ' O ' HG13 ' A' ' 614' ' ' ILE . 4.0 m -79.65 166.75 21.52 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 174.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.531 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.09 -34.36 56.26 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.091 0.244 . . . . 0.0 111.349 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.94 -29.96 63.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.103 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -82.03 -28.83 32.29 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.974 0.416 . . . . 0.0 110.872 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.1 mt -46.92 -58.54 6.81 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 115.153 -0.93 . . . . 0.0 113.251 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.648 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.9 Cg_endo -60.72 -32.95 93.63 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 122.405 2.07 . . . . 0.0 112.683 -175.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.2 m -64.46 -39.89 94.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 0.0 110.274 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -72.03 -39.57 69.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 614' ' ' ILE . 55.0 mt -56.73 -42.99 78.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.109 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.4 mm-40 -58.48 -32.95 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.7 -43.4 25.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.058 0.456 . . . . 0.0 110.726 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 33.6 pt -78.78 -3.53 5.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.463 0.649 . . . . 0.0 110.169 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.1 m -79.9 -24.53 41.06 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.479 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -64.76 102.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.286 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.402 -0.808 . . . . 0.0 109.993 -178.595 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -69.38 145.87 52.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.571 175.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -118.55 121.7 40.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.253 0.549 . . . . 0.0 110.794 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 1.8 mt -102.79 137.26 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -97.75 149.16 22.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.148 0.499 . . . . 0.0 111.618 -176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -104.0 143.86 27.51 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.16 171.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.45 -42.91 58.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.895 2.397 . . . . 0.0 112.277 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.95 -39.94 79.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.021 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 18.1 mm-40 -72.71 -31.79 65.26 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.22 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.761 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -71.35 -31.98 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.865 0.364 . . . . 0.0 111.283 -178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.51 ' HB3' HG13 ' A' ' 591' ' ' VAL . 1.2 ptm180 -80.34 -14.33 58.44 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.532 174.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -51.45 -48.49 86.2 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 122.191 0.196 . . . . 0.0 111.327 177.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.605 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 49.7 Cg_exo -56.93 -37.09 99.16 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.407 2.071 . . . . 0.0 112.223 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.445 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 71.1 mt -63.47 -20.9 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.3 mt-30 -87.05 -17.04 33.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.565 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -122.01 58.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.42 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 84.01 -38.94 2.84 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 120.392 -0.909 . . . . 0.0 114.409 174.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 71.2 m95 -64.38 155.42 32.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.315 0.557 . . . . 0.0 111.611 -176.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -130.95 157.67 42.33 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.646 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.6 ttt180 -146.12 119.88 9.24 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.693 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.07 141.91 46.86 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.339 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.76 117.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.22 120.83 43.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.757 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.74 125.1 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.927 -174.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -132.58 142.73 49.28 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.015 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 22.5 tptm -73.55 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.657 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -101.37 168.92 20.15 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.001 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -69.24 -25.88 64.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.039 0.447 . . . . 0.0 110.269 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -101.51 -55.06 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.787 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -146.95 -174.94 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.142 0.496 . . . . 0.0 111.208 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.429 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 47.8 m95 -87.17 124.71 33.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.788 176.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -125.65 163.74 22.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.611 0.72 . . . . 0.0 111.457 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -153.19 150.53 22.29 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.624 178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -136.71 148.01 47.08 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.714 0.769 . . . . 0.0 110.791 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 55.5 m -106.48 125.42 50.98 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.76 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.14 145.59 33.93 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.655 0.741 . . . . 0.0 110.409 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.646 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 13.9 m-85 -131.58 153.88 49.43 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.375 -1.284 . . . . 0.0 110.354 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -134.19 130.89 37.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.583 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.13 128.76 19.86 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . 0.444 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 42.9 Cg_endo -68.65 -7.17 19.71 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.834 2.356 . . . . 0.0 113.034 -174.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -135.32 5.14 3.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.14 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.91 -142.58 3.44 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.747 -1.216 . . . . 0.0 113.286 -168.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.416 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.2 OUTLIER -76.68 -176.49 3.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.301 -0.449 . . . . 0.0 111.401 -175.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.72 138.23 53.43 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.214 0.531 . . . . 0.0 110.348 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.5 mpp? -121.45 144.54 48.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.195 -176.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.434 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.62 8.95 2.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.814 0.816 . . . . 0.0 110.14 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.426 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 14.0 mm100 -119.88 145.77 46.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.393 173.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 567' ' ' ILE . 13.3 t80 -55.31 -49.08 94.45 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.462 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 33.4 Cg_endo -63.74 -15.71 50.48 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.243 1.962 . . . . 0.0 112.537 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 560' ' ' MET . 98.7 mt-10 -84.09 -27.96 27.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.19 0.519 . . . . 0.0 111.122 176.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.636 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.1 t -77.67 -44.21 29.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.422 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.726 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.2 mm -58.88 -33.06 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.132 0.491 . . . . 0.0 111.025 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -74.16 -38.63 63.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.005 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -65.46 -41.67 93.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 27.1 mt -66.39 -35.01 79.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.191 -178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 45.7 m -73.46 -44.65 57.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.246 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.02 -35.71 59.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.046 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.49 170.2 8.11 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.1 t -90.56 116.27 31.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.88 132.98 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -138.06 -26.28 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.782 0.325 . . . . 0.0 110.776 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 22.5 m -68.06 -39.21 83.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 0.0 110.551 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 528' ' ' PRO . 9.8 m -121.06 138.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.671 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -113.41 175.36 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.433 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.32 -31.34 53.99 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.402 0.546 . . . . 0.0 112.174 -176.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.65 -28.09 65.36 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 42.3 m80 -77.65 -11.91 59.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.241 0.543 . . . . 0.0 110.965 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.58 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 59.2 m-85 -107.76 126.99 53.29 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.774 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 78.4 p -136.42 137.99 41.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.466 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 59.3 m-85 -106.47 -3.41 20.95 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.798 -176.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 27.3 m -61.8 118.6 40.03 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -76.15 12.82 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.924 2.416 . . . . 0.0 112.287 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -99.25 1.18 44.48 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 175.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.813 ' HG3' HG23 ' A' ' 591' ' ' VAL . 55.3 tpp -98.86 103.5 19.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.439 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 87.0 Cg_endo -80.18 71.22 7.16 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 123.001 2.467 . . . . 0.0 112.569 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.813 HG23 ' HG3' ' A' ' 589' ' ' MET . 69.0 t -106.39 -71.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -176.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.26 -112.12 0.96 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.546 -1.311 . . . . 0.0 112.352 -172.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -110.49 141.34 43.75 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.36 0.6 . . . . 0.0 110.346 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.1 m-85 -119.85 132.57 55.61 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.037 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -130.97 152.33 50.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.112 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.411 ' HB3' HD11 ' A' ' 609' ' ' LEU . 8.6 pt-20 -132.82 131.64 41.27 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.0 121.3 21.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 598' ' ' ARG . 19.3 ttt180 -134.14 158.08 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.022 -172.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -100.46 140.7 34.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.489 0.661 . . . . 0.0 110.831 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 21.2 p -134.35 165.0 39.94 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.815 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.18 -12.58 23.87 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.618 2.212 . . . . 0.0 112.73 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.493 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.4 pt-20 -99.98 -13.62 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.001 0.429 . . . . 0.0 110.464 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.55 -170.48 22.33 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 119.807 -1.187 . . . . 0.0 114.068 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.25 117.61 20.42 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.426 0.632 . . . . 0.0 110.636 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -135.32 153.08 51.98 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.51 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.26 110.57 20.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 38.3 t -93.76 128.58 45.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.227 0.537 . . . . 0.0 110.259 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -73.85 135.87 43.43 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.818 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 596' ' ' GLU . 39.6 mt -95.6 143.16 27.12 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 614' ' ' ILE . 50.5 m -88.68 169.58 11.54 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.55 -34.05 56.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.165 0.291 . . . . 0.0 111.769 -175.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 5.8 mp0 -67.33 -35.95 80.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 110.031 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -81.65 -30.4 32.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.089 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 618' ' ' ILE . 37.8 mt -46.18 -59.15 5.22 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.279 -176.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 37.2 Cg_endo -64.64 -28.25 60.8 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.347 2.031 . . . . 0.0 112.658 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 15.6 m -69.22 -36.68 77.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.065 0.46 . . . . 0.0 110.259 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -73.0 -38.83 66.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.195 174.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 614' ' ' ILE . 61.5 mt -57.03 -38.39 60.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.695 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 26.0 mm-40 -57.91 -36.05 71.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.734 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.11 -45.08 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.001 0.429 . . . . 0.0 111.139 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 618' ' ' ILE . 38.5 pt -84.14 -2.02 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.197 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 3.1 t -68.96 -20.21 64.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -177.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 132.7 -128.08 5.04 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.662 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.096 -179.515 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.16 131.98 47.41 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -90.71 113.41 25.5 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.12 152.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -106.73 148.91 27.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.189 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -100.73 148.1 34.56 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.137 175.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . 0.409 ' HA ' HG21 ' A' ' 591' ' ' VAL . 10.3 Cg_endo -52.47 -42.49 60.99 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.727 2.284 . . . . 0.0 112.167 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -57.25 -40.33 77.41 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.446 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.5 mm-40 -71.85 -38.38 70.11 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.326 175.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 521' ' ' THR . 87.9 t -66.83 -30.35 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.019 0.438 . . . . 0.0 111.46 -177.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.36 -15.26 43.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.842 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.63 -54.24 33.23 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.483 179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 18.7 Cg_endo -60.18 -29.81 89.9 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.704 2.27 . . . . 0.0 112.597 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 41.5 mt -68.78 -19.93 64.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.527 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' A' ' 527' ' ' LEU . 15.0 mt-30 -86.69 -21.41 26.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.255 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -92.78 -27.12 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.837 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.86 -25.82 0.92 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.047 -1.073 . . . . 0.0 112.606 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.53 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 60.8 m95 -63.83 157.15 25.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.653 0.263 . . . . 0.0 110.558 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -133.78 158.87 42.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.61 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 8.4 ttt180 -143.29 120.94 11.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -112.22 139.13 48.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 60.0 t -118.22 115.47 48.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.488 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 89.4 mtt180 -106.6 119.48 39.4 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.482 -174.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 27.6 mt -113.03 123.61 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.305 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -130.52 147.32 52.19 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.069 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.428 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.3 tptm -75.61 124.77 27.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.761 176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.68 167.47 24.45 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.247 -176.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.5 m -71.65 -18.55 62.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.151 0.5 . . . . 0.0 110.457 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.24 -54.37 2.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.607 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.09 -176.82 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.428 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 42.4 m95 -82.26 125.07 30.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.525 176.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -126.19 157.83 37.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.437 0.637 . . . . 0.0 111.525 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -150.79 150.74 22.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.863 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.83 148.5 47.18 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.6 0.714 . . . . 0.0 110.673 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 51.2 m -108.31 125.83 52.14 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.029 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -109.4 149.27 29.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.193 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.61 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 19.5 m-85 -132.28 154.83 49.28 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.099 175.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -133.9 131.88 39.63 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.53 131.43 16.58 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.233 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.75 -26.94 44.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.505 2.137 . . . . 0.0 112.179 -175.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 4.2 p -119.44 6.31 11.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.703 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.55 -146.1 4.38 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 119.661 -1.256 . . . . 0.0 113.324 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -75.08 -176.27 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 0.0 111.573 -176.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.56 143.32 45.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.501 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -126.17 143.79 51.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.293 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 561' ' ' LYS . 0.0 OUTLIER -135.27 7.93 3.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.791 0.805 . . . . 0.0 109.899 176.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.509 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -118.2 145.39 45.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.402 175.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.764 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.0 t80 -54.41 -49.8 88.68 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.493 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.0 Cg_endo -64.0 -14.04 41.02 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.317 2.011 . . . . 0.0 112.711 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.501 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 36.8 mt-10 -84.37 -28.57 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.258 0.552 . . . . 0.0 111.057 176.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 62.2 t -78.87 -43.79 24.94 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.491 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.2 mm -60.17 -32.9 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 19.8 ptpt -73.74 -38.06 64.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.173 179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -64.91 -42.38 94.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -175.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.7 mt -68.2 -38.9 82.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.575 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.7 t -73.03 -40.42 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.544 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 20.8 mtp180 -77.19 -42.88 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 111.53 -176.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -98.15 -177.12 3.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.842 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 32.2 t -103.23 115.9 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.103 177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 47.0 t -146.16 123.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -123.66 -27.33 4.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 p -68.95 -43.85 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.291 0.567 . . . . 0.0 111.054 -177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.429 HG11 ' CA ' ' A' ' 528' ' ' PRO . 2.4 m -117.61 137.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.705 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.41 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 12.5 mmm180 -113.44 171.49 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.469 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.77 -31.63 58.93 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -176.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.41 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 10.9 pt-20 -57.33 -30.62 64.95 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.54 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 40.8 m80 -74.26 -12.56 60.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.986 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.484 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 49.4 m-85 -109.83 126.38 53.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.541 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 69.2 p -134.82 137.75 43.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 60.5 m-85 -106.21 -2.38 22.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.036 0.446 . . . . 0.0 111.199 -178.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 44.0 m -62.73 115.18 15.2 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.955 171.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.52 12.91 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.839 2.359 . . . . 0.0 112.164 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -98.83 1.04 45.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.68 0.753 . . . . 0.0 109.017 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . . . . . . . . . 53.7 tpp -93.62 108.29 33.12 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.771 175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.2 55.95 5.26 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.272 2.648 . . . . 0.0 112.472 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 522' ' ' PRO . 43.8 t -137.17 140.75 41.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.328 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 104.08 -122.79 7.51 Favored Glycine 0 N--CA 1.437 -1.279 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.01 140.78 36.31 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -119.85 132.05 55.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.014 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -129.12 153.35 47.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 0.0 110.402 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -130.43 123.75 30.52 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.81 120.84 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -132.14 158.21 42.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.86 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -99.67 143.83 29.45 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 121.819 0.818 . . . . 0.0 110.845 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.607 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.9 p -135.39 164.59 42.61 Favored Pre-proline 0 C--N 1.306 -1.32 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.173 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.9 Cg_endo -61.87 -11.24 20.19 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.584 2.19 . . . . 0.0 112.704 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.607 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 14.9 pt-20 -102.63 -15.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 110.561 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.18 -171.71 23.53 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.681 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.14 123.71 29.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.313 0.578 . . . . 0.0 110.141 177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.0 pt20 -136.43 150.76 48.91 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.373 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . 0.488 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 64.4 m95 -87.06 110.11 19.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.69 124.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.207 0.527 . . . . 0.0 110.548 -177.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -73.19 136.06 44.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.049 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 613' ' ' GLU . 24.4 mt -98.52 145.37 26.86 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 614' ' ' ILE . 16.8 p -80.69 167.38 20.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.19 -35.08 48.11 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.11 -31.73 64.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.03 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.428 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 35.6 mt-10 -81.66 -28.54 33.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.925 0.393 . . . . 0.0 110.948 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 611' ' ' ALA . 35.2 mt -46.32 -58.55 6.36 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.1 Cg_endo -60.71 -33.27 93.37 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.533 2.155 . . . . 0.0 112.89 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 19.5 m -68.26 -35.26 77.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.91 0.386 . . . . 0.0 110.452 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -72.81 -40.59 65.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 174.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 614' ' ' ILE . 67.9 mt -56.98 -44.27 82.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.829 178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 35.3 mm-40 -54.91 -34.11 62.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.81 -43.25 25.74 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 32.3 pt -75.92 -11.43 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.457 0.646 . . . . 0.0 109.98 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.3 m -84.03 124.19 30.81 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.036 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -85.59 -49.99 4.16 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.102 177.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.13 146.81 32.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -124.66 121.65 35.29 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.8 mt -87.21 134.18 28.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -104.64 146.25 29.19 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.992 0.425 . . . . 0.0 110.757 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -101.94 147.02 33.31 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 175.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.2 -42.96 61.15 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.412 2.075 . . . . 0.0 111.938 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.26 -40.61 78.02 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.556 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 528' ' ' PRO . 15.9 mm-40 -71.56 -35.97 70.79 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 120.63 0.252 . . . . 0.0 111.273 175.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 521' ' ' THR . 94.0 t -68.4 -30.7 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.345 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -83.75 -15.11 49.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.769 178.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 527' ' ' LEU . 0.2 OUTLIER -52.72 -50.92 78.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 122.727 0.411 . . . . 0.0 111.615 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 31.6 Cg_exo -60.22 -32.39 94.32 Favored 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.189 1.926 . . . . 0.0 112.295 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 53.6 mt -67.13 -20.71 65.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.471 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 31.9 mt-30 -86.11 -21.38 27.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.325 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.021 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . 0.507 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 154.06 -28.62 0.72 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.731 -1.223 . . . . 0.0 113.18 178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.459 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 68.6 m95 -62.21 156.42 21.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 110.662 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -131.8 158.1 42.15 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.577 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 7.3 ttt180 -142.9 120.14 11.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.26 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -113.58 139.38 49.05 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.42 117.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.404 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.7 mtt180 -102.67 119.86 39.57 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.102 -175.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 32.6 mt -114.71 122.75 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-O 121.449 0.642 . . . . 0.0 110.412 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -130.67 148.28 52.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.855 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.0 126.68 30.52 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.764 177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.64 167.02 30.68 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.363 -0.922 . . . . 0.0 111.668 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.1 m -68.75 -25.0 64.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.219 0.533 . . . . 0.0 110.09 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -109.38 -57.78 2.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.714 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.67 -177.87 4.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.467 0.651 . . . . 0.0 111.818 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -84.98 125.29 32.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.869 176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -125.72 149.63 48.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.816 0.817 . . . . 0.0 111.842 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -142.25 150.45 22.11 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.61 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -138.87 149.81 45.29 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.564 0.697 . . . . 0.0 110.479 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 56.2 m -106.44 126.05 51.76 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.087 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -108.98 149.05 29.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.088 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 17.0 m-85 -133.69 152.03 51.79 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.661 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -133.91 132.87 40.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.372 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.02 139.18 32.19 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.986 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . 0.507 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 74.8 Cg_endo -78.42 -7.23 15.88 Favored 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 123.011 2.474 . . . . 0.0 112.341 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 48.6 t -141.35 5.54 1.86 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.339 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.62 -149.73 5.46 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.253 -169.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.551 ' H ' ' HD3' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -74.82 -177.19 3.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.929 -0.636 . . . . 0.0 111.81 -175.251 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.74 140.36 50.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.101 0.477 . . . . 0.0 110.703 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -127.6 148.96 50.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.977 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.35 10.21 3.48 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.601 0.715 . . . . 0.0 109.526 175.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.481 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -117.08 145.78 43.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.775 176.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' A' ' 567' ' ' ILE . 8.9 t80 -60.48 -49.59 89.46 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.601 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.536 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 46.8 Cg_endo -66.71 -10.92 29.85 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.216 1.944 . . . . 0.0 112.643 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -87.7 -26.8 22.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.194 0.521 . . . . 0.0 111.079 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 64.9 t -79.45 -43.28 23.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.745 HD11 ' CE1' ' A' ' 563' ' ' PHE . 7.9 mm -59.01 -31.28 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.035 0.445 . . . . 0.0 111.393 -178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.3 ptpt -74.65 -36.32 62.85 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.079 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -63.65 -42.2 98.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.089 0.471 . . . . 0.0 110.03 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 25.0 mt -67.32 -42.15 84.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.146 -177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 19.7 m -72.96 -40.94 64.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.657 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -77.0 -17.03 59.13 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.459 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -123.1 -167.08 1.54 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.453 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 55.8 t -115.74 115.42 49.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 59.6 t -150.13 105.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.98 -9.37 10.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 21.5 m -73.77 -43.38 59.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.185 0.517 . . . . 0.0 109.862 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 12.3 m -120.79 141.62 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.947 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.11 175.42 5.45 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.442 ' HA ' ' HD2' ' A' ' 583' ' ' PHE . 0.0 OUTLIER -59.18 -29.81 67.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -177.007 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.89 -27.51 65.29 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 47.2 m80 -73.0 -11.41 60.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.379 0.609 . . . . 0.0 110.632 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.505 ' HD1' ' CE1' ' A' ' 552' ' ' TYR . 48.2 m-85 -108.97 127.26 53.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.515 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 50.9 p -132.92 133.53 43.35 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -177.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.442 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 55.8 m-85 -102.64 -6.08 23.13 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.501 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 58.5 m -61.79 116.95 24.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.701 171.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.93 13.54 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.727 2.285 . . . . 0.0 112.172 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -94.24 -2.0 53.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.409 ' HG2' HG21 ' A' ' 525' ' ' VAL . 52.6 tpp -94.79 108.19 35.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.039 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.2 55.64 5.45 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.245 2.63 . . . . 0.0 112.814 -176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 38.7 t -135.27 141.41 42.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . 102.0 -124.77 8.31 Favored Glycine 0 N--CA 1.435 -1.408 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -138.99 140.05 38.08 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -120.0 131.27 55.1 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.053 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -130.65 153.92 48.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.313 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -131.51 126.69 35.58 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.187 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.99 121.68 22.33 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -135.17 156.96 48.11 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.477 -172.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -99.54 134.24 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.573 0.702 . . . . 0.0 111.576 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.631 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 18.3 p -130.18 164.91 37.58 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.022 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.8 Cg_endo -61.65 -11.59 21.1 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.741 2.294 . . . . 0.0 112.892 177.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.631 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.6 pt-20 -99.68 -17.62 17.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.235 0.54 . . . . 0.0 109.823 175.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 136.87 -170.04 23.63 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.596 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.63 122.46 25.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.35 0.595 . . . . 0.0 110.145 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.451 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.1 pt20 -136.31 149.5 48.45 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 66.1 m95 -87.17 110.38 20.11 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.85 127.41 44.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.218 0.532 . . . . 0.0 110.573 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.78 134.97 43.5 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.95 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 30.7 mt -95.13 143.37 26.63 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 614' ' ' ILE . 5.8 m -81.37 166.6 20.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.33 -33.88 59.86 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.428 0.156 . . . . 0.0 111.339 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.87 -29.99 63.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.679 0.276 . . . . 0.0 111.145 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.2 -27.98 32.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.7 mt -47.91 -58.12 8.57 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.738 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.539 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 19.0 Cg_endo -59.6 -32.94 96.8 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.646 2.23 . . . . 0.0 112.509 -177.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.3 m -63.02 -40.99 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.07 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 621' ' ' ILE . 8.9 mpt_? -72.87 -39.7 66.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.093 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 614' ' ' ILE . 62.8 mt -56.78 -38.79 60.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 30.6 mm-40 -61.82 -34.36 75.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -77.22 -44.22 30.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.924 0.392 . . . . 0.0 111.181 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 617' ' ' ARG . 46.6 pt -85.56 -2.05 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.24 -176.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 5.8 t -57.82 164.94 1.92 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.357 -175.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -75.37 73.21 1.61 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.245 -0.503 . . . . 0.0 112.838 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.131 0 C-N-CA 123.308 0.643 . . . . 0.0 110.741 177.746 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.571 0.224 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -75.6 130.35 38.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -93.05 111.32 22.91 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 174.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.7 mt -91.18 134.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.407 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.33 143.67 26.05 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.438 ' HB ' ' HG2' ' A' ' 523' ' ' GLU . 0.4 OUTLIER -99.52 153.41 37.79 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.41 174.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 7.8 Cg_endo -51.5 -43.46 49.95 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.029 1.819 . . . . 0.0 111.429 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.438 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 13.6 pt-20 -55.67 -42.49 75.17 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.431 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 7.4 mm-40 -69.57 -35.94 75.84 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 111.25 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.672 ' HB ' HG21 ' A' ' 591' ' ' VAL . 63.7 t -74.71 -31.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.999 0.428 . . . . 0.0 111.191 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.54 ' HB3' HG13 ' A' ' 591' ' ' VAL . 6.1 ptm180 -81.64 -15.77 53.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.55 -50.42 66.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 122.42 0.288 . . . . 0.0 111.066 177.23 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 40.9 Cg_exo -57.3 -36.62 98.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.522 2.148 . . . . 0.0 112.249 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 65.6 mt -63.33 -27.1 69.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.369 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.431 HE21 HD22 ' A' ' 527' ' ' LEU . 17.8 mt-30 -81.91 -19.69 40.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.873 -177.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -99.12 -21.95 15.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 147.23 -23.85 1.57 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.064 -1.065 . . . . 0.0 112.79 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.504 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 56.3 m95 -64.58 160.64 19.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.817 0.342 . . . . 0.0 110.575 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -128.9 159.58 35.36 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.69 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 2.2 ttt180 -145.8 118.72 8.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.448 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.85 141.22 48.38 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.314 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 57.2 t -116.51 118.84 60.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.223 0.535 . . . . 0.0 109.67 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' A' ' 549' ' ' GLU . 89.2 mtt180 -101.74 117.91 35.84 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.303 -177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 43.1 mt -112.67 122.85 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.605 0.717 . . . . 0.0 110.795 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -128.6 146.34 50.88 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.764 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.439 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 24.5 tptm -73.52 122.35 22.06 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -91.47 169.16 32.67 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.271 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.8 m -66.21 -26.36 67.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.075 0.465 . . . . 0.0 110.487 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -106.56 -59.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.64 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -140.97 -170.06 2.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.02 0.438 . . . . 0.0 110.929 -176.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.439 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 41.7 m95 -85.47 124.5 32.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.582 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -128.2 159.96 33.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.508 0.67 . . . . 0.0 111.908 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -144.71 151.17 23.31 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.951 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 538' ' ' ARG . 9.2 pt-20 -133.76 145.03 49.44 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.269 0.557 . . . . 0.0 109.992 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.451 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.8 m -107.81 124.58 50.27 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.975 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -109.56 147.77 32.42 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.654 0.74 . . . . 0.0 110.794 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.69 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.0 m-85 -130.1 152.13 49.88 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.185 177.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -135.75 129.6 32.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.45 27.91 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.007 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.79 -6.94 19.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.908 2.405 . . . . 0.0 112.522 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 1.8 p -142.63 7.02 1.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.234 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -156.84 -148.18 5.01 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.096 -1.05 . . . . 0.0 113.046 -171.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -176.2 3.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.318 -0.441 . . . . 0.0 111.605 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.459 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -117.45 140.08 50.07 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.413 0.625 . . . . 0.0 110.601 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.16 144.76 50.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.518 -177.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.44 8.64 2.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.761 0.791 . . . . 0.0 110.227 177.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.7 mm100 -117.29 145.49 43.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.673 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.6 t80 -55.64 -48.93 95.4 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.199 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 29.7 Cg_endo -62.23 -16.61 52.03 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.54 2.16 . . . . 0.0 112.622 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 562' ' ' GLN . 92.7 mt-10 -83.84 -28.5 27.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.806 176.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.607 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 53.7 t -78.41 -44.82 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -57.83 -33.5 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.081 0.467 . . . . 0.0 111.334 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 18.9 ptpt -73.71 -39.1 64.58 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -64.27 -40.67 96.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.884 0.373 . . . . 0.0 110.255 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 23.6 mt -67.29 -32.26 73.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.8 t -73.83 -31.79 63.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.804 177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 31.8 mtp180 -83.1 -34.46 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.819 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -115.62 152.96 32.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 38.8 t -79.67 116.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.89 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -140.9 111.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.022 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -108.13 -21.9 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.784 0.326 . . . . 0.0 110.905 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 16.4 p -72.52 -45.46 59.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.489 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 528' ' ' PRO . 4.0 m -122.71 137.0 57.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.364 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -113.99 175.22 5.56 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.528 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.53 -32.4 40.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.3 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.55 -29.63 69.26 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 44.8 m80 -75.06 -11.21 60.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.656 0.741 . . . . 0.0 110.571 -177.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.576 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 56.1 m-85 -107.71 125.25 51.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.366 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 34.4 t -135.96 134.66 38.85 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.451 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 57.8 m-85 -105.23 -2.42 24.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.816 -175.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 43.6 m -61.91 118.24 36.87 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.686 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . 0.464 ' HB2' HD12 ' A' ' 621' ' ' ILE . 84.2 Cg_endo -75.52 11.13 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.786 2.324 . . . . 0.0 112.001 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -100.85 2.33 40.92 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.712 ' HG3' HG23 ' A' ' 591' ' ' VAL . 57.5 tpp -95.36 103.71 13.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.815 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.407 ' HA ' ' CE1' ' A' ' 594' ' ' PHE . 91.5 Cg_endo -81.52 67.09 8.51 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.869 2.379 . . . . 0.0 112.691 -175.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 589' ' ' MET . 63.7 t -105.29 -71.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -173.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.84 -105.15 0.92 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.647 -1.263 . . . . 0.0 112.345 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.409 0.624 . . . . 0.0 110.733 -176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.417 ' HB2' HG12 ' A' ' 614' ' ' ILE . 12.9 m-85 -122.03 132.29 54.44 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.425 178.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -130.32 154.55 47.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.522 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.59 129.51 37.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -74.44 125.16 27.95 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -133.32 158.89 41.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.33 -175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -98.82 140.69 32.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.835 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.576 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.7 p -133.5 164.21 45.61 Favored Pre-proline 0 C--N 1.315 -0.934 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.089 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 21.5 Cg_endo -61.03 -11.51 18.75 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.775 2.317 . . . . 0.0 112.664 176.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.576 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.2 pt-20 -101.83 -14.56 17.22 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 120.915 0.388 . . . . 0.0 110.547 176.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.52 -169.45 24.32 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.108 -1.044 . . . . 0.0 113.84 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.41 120.69 27.16 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.929 -0.635 . . . . 0.0 110.506 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.525 ' CD ' HG21 ' A' ' 600' ' ' THR . 1.8 pt20 -137.78 150.7 47.44 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.083 -177.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -89.22 111.58 22.41 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 23.1 t -93.01 127.42 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.159 0.504 . . . . 0.0 110.218 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -73.34 135.25 44.31 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.809 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.65 142.62 27.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 19.6 m -82.55 165.36 20.18 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 174.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -66.89 -37.6 84.7 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.08 -27.08 33.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 611' ' ' ALA . 29.5 mt -47.15 -58.94 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 33.0 Cg_endo -64.42 -27.57 62.72 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.247 1.965 . . . . 0.0 112.289 -176.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 39.8 t -65.4 -39.83 92.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.292 0.568 . . . . 0.0 109.7 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.437 ' O ' HG12 ' A' ' 621' ' ' ILE . 9.3 mpt_? -72.63 -39.07 67.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.674 176.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' A' ' 622' ' ' THR . 58.6 mt -56.84 -38.23 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.014 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.6 mm-40 -59.68 -35.09 73.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.946 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -78.5 -43.97 25.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.088 0.471 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.464 HD12 ' HB2' ' A' ' 587' ' ' PRO . 36.9 pt -84.59 -1.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.137 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.3 t -63.71 -17.74 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 0.0 111.281 -176.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 118.92 69.49 0.33 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.8 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.107 -179.178 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -85.77 148.4 25.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -137.9 123.0 19.16 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.247 0.546 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 2.3 mt -90.74 137.61 21.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.185 0.517 . . . . 0.0 111.078 -175.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.7 OUTLIER -103.02 145.19 30.11 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.776 173.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.24 -42.56 59.22 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.5 2.134 . . . . 0.0 111.794 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.1 -42.65 81.17 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.109 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 12.2 mm-40 -72.75 -28.95 62.93 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 111.495 176.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.738 ' HB ' HG21 ' A' ' 591' ' ' VAL . 58.2 t -74.57 -32.9 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 4.4 ptm180 -78.84 -16.43 57.1 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.255 -0.278 . . . . 0.0 111.019 175.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.76 -53.91 37.21 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 122.822 0.449 . . . . 0.0 111.928 179.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.53 ' HB2' ' HB2' ' A' ' 533' ' ' TRP . 18.5 Cg_endo -59.97 -30.0 90.66 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.2 1.934 . . . . 0.0 112.321 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 52.5 mt -65.99 -24.44 66.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.249 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 36.0 mt-30 -84.11 -17.6 39.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.634 -177.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -101.19 -21.78 14.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.75 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . 0.476 ' C ' ' HB3' ' A' ' 555' ' ' PRO . . . 149.62 -25.21 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.943 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.558 ' O ' ' HD2' ' A' ' 534' ' ' ARG . 66.0 m95 -63.23 157.19 23.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.296 . . . . 0.0 110.607 177.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 533' ' ' TRP . 3.2 mpt_? -127.91 159.14 35.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 174.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.651 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.4 ttt180 -146.38 118.64 8.36 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.535 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -119.26 141.52 48.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.664 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 51.9 t -116.79 122.17 69.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.168 0.509 . . . . 0.0 110.158 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -104.94 120.59 41.82 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.912 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mt -114.39 123.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.329 0.585 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -129.35 146.64 51.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.006 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 47.3 tptt -79.79 129.09 34.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.986 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -100.77 169.53 21.24 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.87 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 51.9 m -64.96 -23.72 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -107.46 -59.24 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.047 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -135.14 -179.99 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.88 0.848 . . . . 0.0 111.974 -174.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 43.3 m95 -86.25 124.19 32.35 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.246 170.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -128.39 148.93 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.967 0.889 . . . . 0.0 112.168 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -135.9 151.87 20.84 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.912 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.62 148.02 45.47 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.498 0.665 . . . . 0.0 110.337 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 59.5 m -107.01 125.36 50.91 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.955 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -109.05 148.44 30.79 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.712 0.768 . . . . 0.0 110.741 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.651 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 22.9 m-85 -131.36 152.05 50.96 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.957 176.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.9 129.5 34.46 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.05 135.68 37.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.178 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . 0.476 ' HB3' ' C ' ' A' ' 532' ' ' GLY . 63.9 Cg_endo -74.37 -7.01 19.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.998 2.465 . . . . 0.0 112.354 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 10.3 p -143.95 7.3 1.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.116 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.89 -147.79 4.84 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 119.757 -1.211 . . . . 0.0 113.518 -169.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -176.49 3.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.99 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.2 OUTLIER -118.01 143.18 46.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.105 0.478 . . . . 0.0 110.589 -179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -130.98 147.82 52.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.697 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -140.63 13.36 2.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.754 0.788 . . . . 0.0 110.004 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.448 ' HB2' ' HG2' ' A' ' 565' ' ' GLU . 15.0 mm100 -120.35 145.21 47.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.242 173.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.743 ' CE1' HD11 ' A' ' 567' ' ' ILE . 12.6 t80 -56.96 -49.65 92.74 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.454 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.581 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 36.0 Cg_endo -64.2 -15.41 49.32 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.21 1.94 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 562' ' ' GLN . 37.7 mm-40 -86.54 -26.59 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.056 0.455 . . . . 0.0 111.269 178.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 41.8 t -78.4 -43.45 26.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.791 178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.743 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.9 mm -57.72 -33.23 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-O 121.086 0.469 . . . . 0.0 111.308 -179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.0 ptpt -74.0 -37.37 64.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.275 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -61.97 -42.09 98.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.105 0.479 . . . . 0.0 109.903 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 21.9 mt -66.78 -34.41 77.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.8 t -73.34 -37.91 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.033 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 19.8 mtp180 -73.78 -30.6 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.63 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -115.52 176.7 4.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.32 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 63.2 t -99.82 116.37 42.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 54.4 t -145.19 108.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.91 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -106.54 -27.85 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.082 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.0 m -68.93 -43.95 74.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.895 0.378 . . . . 0.0 111.609 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.403 HG11 ' CA ' ' A' ' 528' ' ' PRO . 4.3 m -121.03 138.95 49.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.437 0.637 . . . . 0.0 112.596 -178.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.404 ' HB2' ' HG2' ' A' ' 581' ' ' GLU . 25.8 mmt180 -112.54 172.64 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.667 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.565 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -51.4 -33.44 30.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.423 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 579' ' ' ARG . 11.9 pt-20 -60.96 -28.83 69.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.505 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 49.7 m80 -73.46 -11.65 60.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.477 0.656 . . . . 0.0 110.71 -177.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.562 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 54.8 m-85 -107.72 123.73 48.96 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.207 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 73.3 p -135.54 133.82 38.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.505 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 65.3 m-85 -103.44 -0.45 29.96 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.379 -176.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 14.9 m -61.15 115.8 16.09 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.645 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.96 10.53 1.67 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.81 2.34 . . . . 0.0 112.072 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.417 ' HG2' HG23 ' A' ' 618' ' ' ILE . 57.2 mtp180 -96.58 -0.76 48.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.792 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.7 tpp -99.31 104.38 26.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.514 178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.528 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.9 Cg_endo -80.99 74.95 5.3 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.89 2.393 . . . . 0.0 112.259 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 589' ' ' MET . 75.1 t -108.52 -69.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -89.78 -104.94 1.16 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 119.503 -1.332 . . . . 0.0 112.383 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.25 140.44 49.55 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 121.384 0.612 . . . . 0.0 110.999 -175.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 13.9 m-85 -121.49 132.15 54.55 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.285 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.64 154.21 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.42 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.414 ' CD ' ' HE ' ' A' ' 617' ' ' ARG . 39.6 tt0 -136.09 129.83 32.46 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.23 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 125.87 29.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 109.93 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -132.97 158.7 42.02 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.918 -175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.97 137.58 36.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.724 0.774 . . . . 0.0 111.066 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.561 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 17.4 p -129.44 164.67 38.08 Favored Pre-proline 0 C--N 1.313 -0.981 0 CA-C-N 114.728 -1.124 . . . . 0.0 108.981 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 29.4 Cg_endo -63.32 -11.56 26.12 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.447 2.098 . . . . 0.0 112.434 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.55 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 11.0 pt-20 -100.46 -15.1 18.01 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.915 0.388 . . . . 0.0 110.501 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.0 -166.38 25.17 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.649 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.75 120.96 27.75 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.361 0.601 . . . . 0.0 110.406 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.51 ' CD ' HG21 ' A' ' 600' ' ' THR . 2.0 pt20 -136.2 150.8 49.16 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.249 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -87.92 110.56 20.64 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 42.6 t -92.65 127.13 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.314 0.578 . . . . 0.0 110.656 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -74.48 134.89 42.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.045 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 596' ' ' GLU . 29.6 mt -95.46 143.09 27.08 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -178.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 8.2 m -81.28 167.02 19.99 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.36 -34.19 56.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.058 0.224 . . . . 0.0 111.474 -177.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -76.91 -25.41 52.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.613 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.05 -28.91 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.143 0.497 . . . . 0.0 110.28 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 44.4 mt -48.39 -58.68 7.55 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.929 -1.032 . . . . 0.0 113.244 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 29.4 Cg_endo -62.84 -29.08 76.2 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.318 2.012 . . . . 0.0 112.378 -176.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 31.9 t -66.11 -39.53 90.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.318 0.58 . . . . 0.0 109.511 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.414 ' HE ' ' CD ' ' A' ' 596' ' ' GLU . 7.6 mpt_? -72.47 -39.49 67.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.979 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.499 ' O ' ' HB ' ' A' ' 622' ' ' THR . 64.0 mt -57.31 -38.39 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.106 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 31.8 mm-40 -63.18 -33.99 76.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.838 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.28 45.1 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.925 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 34.9 pt -78.04 -4.74 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.387 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 619' ' ' GLN . 1.0 OUTLIER -74.34 -18.9 60.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.941 -177.475 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -145.56 -81.2 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.102 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.543 -175.823 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -91.07 179.98 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -105.18 117.79 34.89 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.7 mt -96.36 140.36 17.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -176.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -88.71 144.86 25.99 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.402 0.62 . . . . 0.0 110.977 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -103.19 149.41 36.9 Favored Pre-proline 0 C--N 1.312 -1.064 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.447 171.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.09 -43.19 54.58 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.284 1.989 . . . . 0.0 111.723 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.408 ' HG2' ' HB ' ' A' ' 521' ' ' THR . 11.2 pt-20 -56.26 -42.19 77.03 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.002 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 17.8 mm-40 -70.83 -33.28 70.52 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 111.062 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.777 ' HB ' HG21 ' A' ' 591' ' ' VAL . 57.5 t -74.43 -31.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.0 0.429 . . . . 0.0 111.193 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.55 ' HB3' HG13 ' A' ' 591' ' ' VAL . 11.0 ptm180 -78.64 -16.45 57.33 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.078 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -49.22 -49.98 66.81 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 122.424 0.29 . . . . 0.0 111.441 178.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.595 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -55.7 -37.97 94.84 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.481 2.12 . . . . 0.0 112.252 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 56.5 mt -65.83 -24.27 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 16.0 mt-30 -88.85 -7.85 55.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.596 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -112.89 -21.13 11.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.99 -27.37 0.91 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.253 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.46 163.49 15.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -130.53 157.51 42.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.626 ' HG3' ' CE2' ' A' ' 552' ' ' TYR . 2.1 ttt180 -146.69 119.03 8.37 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.773 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -118.84 141.84 48.27 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.627 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 61.7 t -117.79 122.33 69.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.129 0.49 . . . . 0.0 110.186 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . 0.459 ' HB3' ' CH2' ' A' ' 606' ' ' TRP . 99.5 mtt180 -104.59 120.53 41.51 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.919 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.6 mt -113.49 122.99 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.383 0.611 . . . . 0.0 110.669 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -127.53 146.46 50.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.93 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.555 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 23.2 tptm -80.46 129.89 34.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.401 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -103.95 162.22 15.49 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.659 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 17.5 m -67.47 -20.03 65.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.896 0.379 . . . . 0.0 110.682 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -105.53 -49.4 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.082 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -153.22 -178.76 7.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.868 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.555 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 53.2 m95 -86.32 125.65 33.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.695 -1.139 . . . . 0.0 109.887 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -127.57 159.7 33.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 111.588 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -148.4 151.22 23.45 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.123 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -135.25 146.8 48.94 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.476 0.655 . . . . 0.0 110.288 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.2 m -108.18 125.58 51.8 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.743 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -108.54 146.95 32.48 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.792 0.806 . . . . 0.0 110.515 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.626 ' CE2' ' HG3' ' A' ' 535' ' ' ARG . 0.8 OUTLIER -131.94 149.57 52.4 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.807 178.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.25 128.5 34.0 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.9 132.19 26.19 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.84 -6.34 18.46 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.605 2.203 . . . . 0.0 112.299 -175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 60.7 m -138.55 5.39 2.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.158 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -157.35 -142.43 3.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.101 -170.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.423 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.3 OUTLIER -79.83 -176.3 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.449 -0.375 . . . . 0.0 111.145 -176.657 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.3 OUTLIER -117.14 140.96 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.16 0.505 . . . . 0.0 110.391 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.557 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.8 mpp? -127.76 144.83 51.07 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.61 -176.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.91 8.24 2.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.676 0.75 . . . . 0.0 110.281 176.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.433 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 13.8 mm100 -115.69 146.07 42.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.989 172.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 567' ' ' ILE . 10.2 t80 -56.79 -48.51 97.17 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.174 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.593 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 29.5 Cg_endo -62.26 -15.43 44.52 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.492 2.128 . . . . 0.0 112.693 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.557 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 43.5 mt-10 -83.71 -28.91 27.95 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.146 0.498 . . . . 0.0 111.127 175.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.538 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 58.4 t -78.83 -43.71 25.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.593 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.648 HD11 ' CE1' ' A' ' 563' ' ' PHE . 9.0 mm -58.2 -32.98 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.497 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.593 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 17.9 ptpt -74.05 -38.78 63.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.792 178.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -63.34 -42.6 98.96 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.8 mt -66.73 -33.19 75.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.476 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.1 t -73.26 -44.54 59.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.838 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -70.43 -37.65 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.373 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -103.97 -179.69 4.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.146 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 44.6 t -106.83 116.35 50.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 48.6 t -146.87 118.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -121.51 -21.27 6.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.808 0.337 . . . . 0.0 111.011 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 12.7 m -68.82 -41.63 78.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.146 0.498 . . . . 0.0 110.292 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 528' ' ' PRO . 14.0 m -121.35 138.67 50.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.739 177.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -113.36 175.82 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.507 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.82 -32.09 51.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -177.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.01 -26.47 68.26 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.53 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.1 m80 -76.0 -11.39 59.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.575 0.702 . . . . 0.0 110.471 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.42 ' HD2' ' HA ' ' A' ' 580' ' ' ARG . 71.3 m-85 -106.91 124.96 50.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.449 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 43.3 t -135.9 132.51 36.61 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 561' ' ' LYS . 58.7 m-85 -104.13 2.73 32.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 18.9 m -61.62 115.67 16.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.63 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.32 10.3 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.894 2.396 . . . . 0.0 111.949 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -98.54 -0.19 43.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.834 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -98.02 104.72 23.69 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.201 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.432 ' HB3' HG21 ' A' ' 614' ' ' ILE . 87.3 Cg_endo -80.4 68.28 8.36 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 123.14 2.56 . . . . 0.0 112.775 -176.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.834 HG23 ' HG3' ' A' ' 589' ' ' MET . 77.2 t -101.17 -70.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -96.61 -109.37 2.57 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 119.698 -1.239 . . . . 0.0 112.502 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 5.3 m-20 -103.45 137.17 41.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 121.431 0.634 . . . . 0.0 111.144 -175.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -122.93 132.08 54.01 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.057 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 23.3 m-85 -129.86 153.69 48.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.615 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' A' ' 609' ' ' LEU . 40.3 tt0 -132.16 126.66 34.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.98 124.42 26.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.039 0.447 . . . . 0.0 110.074 -177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 599' ' ' ASP . 76.1 ttt180 -131.48 158.63 40.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.475 -173.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 598' ' ' ARG . 8.8 p-10 -97.07 137.03 36.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.669 0.747 . . . . 0.0 111.384 175.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 19.0 p -129.69 164.57 39.14 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.982 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 26.8 Cg_endo -62.37 -10.56 19.17 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.611 2.207 . . . . 0.0 112.693 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.545 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.0 pt-20 -102.06 -12.68 17.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.101 0.476 . . . . 0.0 110.26 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 134.01 -162.26 24.46 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.549 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 74.5 mt -87.54 126.99 35.25 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.545 . . . . 0.0 110.778 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.424 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.5 pt20 -141.69 152.97 44.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.524 176.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 538' ' ' ARG . 74.4 m95 -85.77 111.6 20.3 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 47.0 t -92.62 124.24 44.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.234 0.54 . . . . 0.0 110.503 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -73.53 135.28 43.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.346 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 596' ' ' GLU . 24.2 mt -96.36 143.51 27.34 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 614' ' ' ILE . 9.6 m -79.07 164.76 24.05 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 174.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.55 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.63 -33.41 46.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -79.78 -24.18 41.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.708 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -82.03 -27.05 33.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.077 0.465 . . . . 0.0 110.552 177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 611' ' ' ALA . 46.1 mt -47.4 -59.02 6.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.984 -1.007 . . . . 0.0 113.012 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 27.8 Cg_endo -61.98 -29.66 82.21 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.49 2.127 . . . . 0.0 112.795 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 11.0 m -66.2 -39.34 89.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.197 0.522 . . . . 0.0 109.94 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -72.49 -38.92 68.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.806 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 614' ' ' ILE . 63.8 mt -56.64 -39.03 60.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.861 178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.8 mm-40 -59.78 -34.86 73.56 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.93 -44.62 39.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 35.6 pt -78.64 -2.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.383 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 619' ' ' GLN . 1.0 OUTLIER -73.52 -29.56 62.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.279 179.037 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . -167.13 -92.84 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.658 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.148 -176.933 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.813 0.34 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -110.74 154.09 24.38 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -111.14 115.19 28.98 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.8 mt -91.3 142.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.948 -176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -87.89 142.22 27.97 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.352 0.596 . . . . 0.0 110.82 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.1 OUTLIER -104.53 149.77 37.78 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.333 172.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -51.53 -43.46 50.11 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.313 2.009 . . . . 0.0 112.283 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.57 -42.41 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.611 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -71.22 -33.96 70.37 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.644 ' HB ' HG21 ' A' ' 591' ' ' VAL . 76.2 t -74.45 -30.77 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.15 0.5 . . . . 0.0 111.029 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 10.6 ptp180 -81.85 -15.0 55.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.676 175.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -50.29 -50.21 71.98 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.468 0.307 . . . . 0.0 110.973 177.264 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 48.4 Cg_exo -56.98 -37.84 97.48 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.307 2.004 . . . . 0.0 112.167 174.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 61.6 mt -65.31 -20.05 66.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 39.2 mt-30 -84.94 -28.48 25.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.034 0.445 . . . . 0.0 110.655 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -93.25 -24.59 18.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.294 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.81 -23.2 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.084 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.516 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 59.0 m95 -66.57 156.13 35.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.794 0.33 . . . . 0.0 110.419 177.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -125.72 157.68 36.76 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 552' ' ' TYR . 1.5 ttt180 -146.83 118.47 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.637 177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -117.25 141.96 47.65 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.871 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.92 122.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.103 0.478 . . . . 0.0 110.196 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -105.15 118.9 37.71 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.219 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 30.4 mt -112.03 123.3 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 121.331 0.586 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -131.16 145.58 52.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.895 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 49.6 tptt -75.58 120.71 21.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 173.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.52 169.31 25.92 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.568 -172.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 7.6 t -68.06 -22.56 64.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.168 0.509 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -105.67 -51.44 3.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.61 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -153.6 -169.8 3.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.412 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 48.5 m95 -83.35 124.55 30.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -125.16 160.42 29.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.663 0.744 . . . . 0.0 111.803 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -146.43 151.44 23.69 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.433 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -141.1 147.92 39.31 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.514 0.674 . . . . 0.0 110.67 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.467 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 53.1 m -109.11 126.45 53.21 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.212 -177.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -109.24 147.84 31.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.614 0.721 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.655 ' CE1' ' HG3' ' A' ' 535' ' ' ARG . 13.2 m-85 -131.75 154.92 48.55 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.136 177.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -136.09 132.0 35.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.88 131.69 21.19 Favored Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.315 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.93 -6.87 19.78 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.758 2.305 . . . . 0.0 112.424 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 29.8 m -136.61 4.16 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.323 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -160.22 -142.54 3.42 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.046 -171.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.497 ' H ' ' HD2' ' A' ' 558' ' ' LYS . 0.0 OUTLIER -73.25 -177.69 2.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.279 -0.461 . . . . 0.0 110.854 -178.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.424 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -124.15 143.72 50.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.329 0.585 . . . . 0.0 110.567 177.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.45 ' SD ' ' HG2' ' A' ' 558' ' ' LYS . 2.6 mpp? -128.35 148.82 50.7 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.998 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -137.34 12.27 3.02 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 176.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -119.0 144.79 46.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.572 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.736 ' CE1' HD11 ' A' ' 567' ' ' ILE . 11.4 t80 -57.47 -50.25 89.24 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.514 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.6 ' O ' ' HE3' ' A' ' 568' ' ' LYS . 30.4 Cg_endo -62.55 -17.16 56.84 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.505 2.137 . . . . 0.0 112.741 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -85.53 -26.24 26.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.249 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 56.0 t -78.35 -43.37 26.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.736 HD11 ' CE1' ' A' ' 563' ' ' PHE . 10.9 mm -57.76 -33.65 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.2 0.524 . . . . 0.0 111.378 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 16.3 ptpt -74.79 -36.98 62.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.01 -41.83 99.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 26.0 mt -68.37 -36.84 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.057 -178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 47.8 m -72.53 -43.4 63.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.147 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.58 -27.89 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.856 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -114.73 -177.06 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.127 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 77.2 t -107.4 117.74 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.01 0.433 . . . . 0.0 111.022 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.71 138.24 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -129.89 -32.72 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.731 0.3 . . . . 0.0 111.497 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 35.5 p -69.87 -41.29 75.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.5 -176.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.74 133.35 68.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.958 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 579' ' ' ARG . 17.6 mmm180 -114.0 176.52 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.46 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -52.9 -31.68 41.13 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.47 -26.33 67.82 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 43.8 m80 -79.25 -11.4 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.418 0.628 . . . . 0.0 110.804 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.563 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 58.6 m-85 -105.74 127.33 53.02 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.465 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 41.8 t -135.09 133.1 38.93 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 53.2 m-85 -106.32 -4.3 20.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.817 0.341 . . . . 0.0 111.577 -176.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 23.2 m -61.45 118.24 35.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.7 173.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.07 10.08 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.881 2.387 . . . . 0.0 112.119 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 618' ' ' ILE . 60.7 mtm180 -99.13 2.06 45.62 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 176.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.749 ' HG3' HG23 ' A' ' 591' ' ' VAL . 58.1 tpp -95.37 102.72 10.35 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.131 175.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 614' ' ' ILE . 78.4 Cg_endo -81.25 69.3 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.771 2.314 . . . . 0.0 112.618 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.749 HG23 ' HG3' ' A' ' 589' ' ' MET . 73.7 t -106.45 -70.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -90.14 -106.05 1.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 119.534 -1.317 . . . . 0.0 112.547 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -111.03 138.43 47.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.296 0.57 . . . . 0.0 110.803 -176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.0 m-85 -122.07 132.47 54.51 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.275 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.71 154.71 47.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.597 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -131.18 127.76 38.62 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.73 175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -75.48 124.02 26.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.116 0.484 . . . . 0.0 110.063 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -132.61 158.14 42.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.08 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.8 136.43 37.35 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.36 0.6 . . . . 0.0 110.811 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.573 ' HB ' ' HD2' ' A' ' 601' ' ' PRO . 16.0 p -130.13 164.0 43.8 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.328 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 20.9 Cg_endo -61.05 -12.79 24.29 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.829 2.353 . . . . 0.0 112.779 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 10.2 pt-20 -100.06 -17.61 17.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.004 0.43 . . . . 0.0 110.402 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.58 -168.68 24.88 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.164 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.49 123.43 29.72 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.46 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.0 pt20 -138.58 150.97 46.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.098 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -88.99 110.64 21.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.63 126.47 45.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.176 0.512 . . . . 0.0 110.495 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -74.26 135.33 42.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.048 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 23.5 mt -94.68 144.05 25.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.3 m -80.19 164.16 23.49 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -53.11 -32.31 46.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.209 0.318 . . . . 0.0 111.655 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -72.89 -31.95 65.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.374 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.42 ' HB3' ' NH1' ' A' ' 617' ' ' ARG . 31.9 mm-40 -82.05 -27.05 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.091 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 611' ' ' ALA . 34.5 mt -46.46 -58.78 6.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 28.9 Cg_endo -62.24 -28.48 79.24 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.553 2.169 . . . . 0.0 112.692 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 13.7 m -67.36 -39.22 85.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.0 0.429 . . . . 0.0 110.373 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 613' ' ' GLU . 9.1 mpt_? -72.45 -38.51 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.565 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.56 ' O ' ' HB ' ' A' ' 622' ' ' THR . 58.2 mt -56.83 -38.88 61.04 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.048 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.1 mm-40 -59.48 -34.44 72.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.887 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -76.04 -44.71 37.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.0 111.025 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . . . . . . . . . 37.3 pt -83.3 -2.88 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.567 -176.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 1.3 t -77.78 -13.96 59.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.145 0.498 . . . . 0.0 110.093 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 121.52 42.76 0.45 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.94 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.352 -0.833 . . . . 0.0 109.759 -179.082 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 581' ' ' GLU . 6.9 tmm_? -88.26 110.16 20.51 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.4 mt -96.76 147.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.072 -173.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.401 ' HB2' ' NH1' ' A' ' 518' ' ' ARG . . . -114.26 150.09 34.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.919 0.39 . . . . 0.0 111.371 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.6 OUTLIER -103.31 146.28 32.17 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.398 172.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.39 -43.59 56.18 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.537 2.158 . . . . 0.0 112.14 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.44 -43.3 71.49 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.411 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 13.2 mm-40 -72.02 -33.09 67.77 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.712 177.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 591' ' ' VAL . 72.2 t -71.55 -31.78 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.956 0.408 . . . . 0.0 111.083 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 530' ' ' GLN . 14.2 ptm180 -80.79 -15.43 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.311 175.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 524' ' ' GLU . 0.2 OUTLIER -50.53 -49.04 80.38 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 122.406 0.282 . . . . 0.0 111.378 178.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.558 ' HD2' ' O ' ' A' ' 525' ' ' VAL . 52.9 Cg_exo -56.43 -37.72 96.65 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.378 2.052 . . . . 0.0 112.422 175.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 51.9 mt -64.16 -28.47 69.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 526' ' ' ARG . 47.6 mt-30 -77.61 -20.63 53.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -101.18 -26.14 13.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -174.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 151.79 -29.09 0.93 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.996 -1.097 . . . . 0.0 112.71 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 57.8 m95 -61.62 159.38 13.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -128.63 159.04 36.83 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.743 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.3 tmt_? -146.33 117.73 7.95 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.191 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -118.57 140.9 49.16 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.456 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.32 122.19 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.07 0.462 . . . . 0.0 110.027 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -104.42 120.35 41.03 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.89 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 35.5 mt -115.1 123.69 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-O 121.421 0.629 . . . . 0.0 110.944 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -131.44 149.26 52.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.17 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 546' ' ' TRP . 28.4 tptp -74.91 121.68 22.25 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 174.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -96.78 166.85 23.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.974 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.5 m -70.29 -19.71 63.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.136 0.493 . . . . 0.0 110.567 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.78 -50.07 3.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.544 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -153.11 -174.95 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.284 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . 0.465 ' CE2' ' HD3' ' A' ' 541' ' ' LYS . 40.6 m95 -84.29 124.63 31.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.97 147.2 50.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.968 0.89 . . . . 0.0 112.056 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -133.96 151.18 20.15 Favored Glycine 0 N--CA 1.439 -1.144 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.397 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.59 148.33 40.78 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.571 0.7 . . . . 0.0 110.43 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 54.0 m -105.92 125.96 51.62 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.893 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -109.68 147.8 32.49 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.7 0.762 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.743 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 17.8 m-85 -130.68 151.73 50.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.248 -1.342 . . . . 0.0 109.832 177.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -134.63 128.81 33.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.94 133.84 25.03 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.523 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.69 -6.42 18.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.48 2.12 . . . . 0.0 112.381 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.76 6.71 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.298 -176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.77 -143.2 3.6 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.949 -1.12 . . . . 0.0 113.333 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . 0.43 ' HG2' ' SD ' ' A' ' 560' ' ' MET . 0.2 OUTLIER -79.56 -175.93 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.41 -0.395 . . . . 0.0 111.228 -176.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.445 ' HD2' ' H ' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -115.62 138.75 50.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.222 0.534 . . . . 0.0 110.252 177.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . 0.475 ' CG ' ' HB3' ' A' ' 565' ' ' GLU . 2.7 mpp? -124.15 144.62 49.8 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.08 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 585' ' ' PHE . 0.0 OUTLIER -139.77 10.26 2.43 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.777 0.798 . . . . 0.0 110.393 177.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.465 ' HB2' ' HG3' ' A' ' 565' ' ' GLU . 15.6 mm100 -119.15 145.51 45.92 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.625 -1.171 . . . . 0.0 109.384 173.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 567' ' ' ILE . 9.7 t80 -53.42 -49.37 88.74 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.363 176.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 37.2 Cg_endo -64.56 -14.54 45.03 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.463 2.109 . . . . 0.0 113.026 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 560' ' ' MET . 51.4 mt-10 -83.54 -28.9 28.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.113 0.482 . . . . 0.0 111.281 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.592 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 55.4 t -78.51 -42.62 26.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.991 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 563' ' ' PHE . 8.4 mm -59.57 -33.04 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-O 121.147 0.499 . . . . 0.0 111.087 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 564' ' ' PRO . 18.7 ptpt -74.22 -38.15 63.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.028 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.09 -42.23 97.01 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 29.6 mt -64.66 -36.04 82.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.875 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.5 t -73.94 -43.77 57.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -73.68 -20.73 60.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.791 -175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.65 175.22 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.95 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.14 116.32 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 37.3 t -147.3 117.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.546 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -115.65 -28.28 6.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 111.076 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 19.6 m -70.24 -40.84 74.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.264 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' ' 528' ' ' PRO . 10.1 m -121.69 135.46 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.383 0.611 . . . . 0.0 112.132 179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -114.14 175.94 5.25 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -53.36 -32.19 48.07 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 518' ' ' ARG . 10.3 pt-20 -61.46 -23.64 66.0 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.511 ' O ' ' HA ' ' A' ' 525' ' ' VAL . 41.9 m80 -80.04 -11.51 59.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.332 0.587 . . . . 0.0 110.602 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.591 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 62.8 m-85 -107.0 127.22 53.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.79 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 35.0 t -135.78 133.37 37.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -105.55 -5.5 20.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -175.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 49.9 m -61.67 119.55 48.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.809 0.337 . . . . 0.0 110.801 174.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . 0.409 ' HB2' HD12 ' A' ' 621' ' ' ILE . 92.2 Cg_endo -75.14 10.68 1.68 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.062 2.508 . . . . 0.0 112.631 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -100.37 2.34 42.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.684 0.754 . . . . 0.0 109.213 177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.722 ' HG3' HG23 ' A' ' 591' ' ' VAL . 54.9 tpp -95.81 104.79 17.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.074 176.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.453 ' HB3' HG21 ' A' ' 614' ' ' ILE . 91.4 Cg_endo -81.68 66.67 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 123.076 2.517 . . . . 0.0 112.678 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 589' ' ' MET . 68.0 t -104.97 -72.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -87.22 -104.05 0.85 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.572 -1.299 . . . . 0.0 112.289 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -118.98 138.82 52.54 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.304 0.573 . . . . 0.0 110.565 -175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.9 132.45 54.97 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.276 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -130.25 153.84 48.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.041 0.448 . . . . 0.0 110.528 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -133.0 126.4 31.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.24 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.82 123.91 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.128 0.49 . . . . 0.0 110.08 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -132.28 156.63 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.431 -173.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -101.02 133.92 44.8 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.318 0.58 . . . . 0.0 111.02 174.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.572 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 19.2 p -128.3 164.65 36.23 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.393 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 27.3 Cg_endo -61.81 -10.77 18.24 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.742 2.295 . . . . 0.0 112.729 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.572 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.4 pt-20 -101.75 -17.16 16.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.447 . . . . 0.0 110.263 176.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 139.88 -166.11 25.74 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.625 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.9 mt -85.8 122.21 29.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.403 ' NE2' HG21 ' A' ' 600' ' ' THR . 8.8 pt20 -136.57 150.09 48.42 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.252 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -87.61 110.54 20.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.25 126.81 45.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.3 0.571 . . . . 0.0 110.618 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.81 135.46 43.47 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.418 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.26 144.25 27.25 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.555 ' O ' HG13 ' A' ' 614' ' ' ILE . 18.0 p -78.95 168.37 19.79 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -52.22 -34.43 45.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.088 176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.75 -28.95 50.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.322 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.96 -28.91 43.66 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.983 0.42 . . . . 0.0 110.567 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 611' ' ' ALA . 42.7 mt -47.46 -58.4 7.54 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.305 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.499 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 20.6 Cg_endo -60.57 -31.22 92.02 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.746 2.298 . . . . 0.0 113.015 -175.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 27.2 t -66.38 -39.01 88.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -72.64 -39.23 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.931 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 622' ' ' THR . 62.5 mt -56.71 -38.43 57.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 178.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 29.2 mm-40 -60.23 -35.35 75.26 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -75.13 -44.6 46.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.078 0.466 . . . . 0.0 111.201 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.409 HD12 ' HB2' ' A' ' 587' ' ' PRO . 40.2 pt -85.79 -1.67 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.344 -176.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 618' ' ' ILE . 4.2 t -69.85 -16.64 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.183 0.516 . . . . 0.0 110.551 -177.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . 121.61 -121.81 4.9 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.409 -179.665 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -81.65 153.06 26.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.106 0.479 . . . . 0.0 110.667 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -111.6 121.56 45.47 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . . . . . . . . . 3.2 mt -99.2 137.11 27.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.118 -176.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -114.01 152.48 30.89 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.358 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 525' ' ' VAL . 0.3 OUTLIER -102.52 145.35 30.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.261 176.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 -43.28 58.57 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.65 2.233 . . . . 0.0 112.48 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.53 -40.59 75.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.499 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 527' ' ' LEU . 9.3 mm-40 -72.04 -33.31 67.89 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.381 176.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' VAL . . . . . 0.602 ' HB ' HG21 ' A' ' 591' ' ' VAL . 80.0 t -72.91 -30.21 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.062 0.458 . . . . 0.0 111.192 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.521 ' HB3' HG13 ' A' ' 591' ' ' VAL . 13.2 ptp180 -82.08 -16.95 48.28 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.29 -0.257 . . . . 0.0 110.972 175.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 528' ' ' PRO . 0.2 OUTLIER -49.06 -53.95 33.41 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 122.605 0.362 . . . . 0.0 111.682 178.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 582' ' ' HIS . 19.1 Cg_endo -60.28 -30.04 90.25 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.373 2.049 . . . . 0.0 112.602 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 533' ' ' TRP . 38.9 mt -65.53 -21.28 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.347 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -90.3 -7.1 54.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.205 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -127.75 56.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.04 -177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 85.02 -47.88 3.94 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.881 . . . . 0.0 114.023 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' TRP . . . . . 0.477 ' O ' ' HA ' ' A' ' 529' ' ' LEU . 75.0 m95 -58.9 156.44 11.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.0 111.866 -176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -131.32 160.92 33.56 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 173.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.753 ' HG3' ' CZ ' ' A' ' 552' ' ' TYR . 1.1 tmt_? -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.466 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.71 141.05 48.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.622 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 66.1 t -117.9 123.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.193 0.52 . . . . 0.0 110.271 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -105.03 118.86 37.61 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.541 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' ILE . . . . . . . . . . . . . 50.1 mt -110.07 123.47 66.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.27 0.557 . . . . 0.0 110.223 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.85 144.39 51.09 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.578 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -71.27 123.61 22.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . . . . . . . . . . . -92.98 166.87 28.96 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.684 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.1 m -69.41 -24.7 63.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 110.677 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -109.01 -48.26 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . 0.427 HH12 ' HA2' ' A' ' 623' ' ' GLY . 50.6 mtp180 -147.87 -172.1 3.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.445 0.641 . . . . 0.0 111.437 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -85.68 125.36 33.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.841 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.14 159.76 33.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.389 0.614 . . . . 0.0 111.716 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' GLY . . . . . . . . . . . . . . . -143.76 151.97 23.79 Favored Glycine 0 N--CA 1.442 -0.914 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.208 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.64 145.37 46.76 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.473 0.654 . . . . 0.0 110.151 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 585' ' ' PHE . 44.2 m -108.49 125.68 52.07 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.881 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -109.34 148.01 31.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.787 0.803 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' TYR . . . . . 0.753 ' CZ ' ' HG3' ' A' ' 535' ' ' ARG . 15.5 m-85 -130.74 153.51 48.94 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.333 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -135.56 129.9 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.363 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.3 130.83 24.29 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.76 -7.2 20.39 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.653 2.235 . . . . 0.0 112.595 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' CYS . . . . . . . . . . . . . 73.8 m -139.23 6.57 2.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.956 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -155.4 -142.62 3.47 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 119.802 -1.189 . . . . 0.0 113.174 -170.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -176.4 5.37 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.153 -176.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.32 54.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.303 0.573 . . . . 0.0 110.673 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -123.4 147.26 47.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 -176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 8.16 3.49 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.587 0.708 . . . . 0.0 109.396 175.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.522 ' HA ' HE21 ' A' ' 562' ' ' GLN . 0.1 OUTLIER -120.36 145.7 46.89 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.857 177.458 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.763 ' CE1' HD11 ' A' ' 567' ' ' ILE . 18.1 t80 -56.18 -50.71 85.94 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.06 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 563' ' ' PHE . 45.6 Cg_endo -66.34 -12.12 34.3 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 122.196 1.931 . . . . 0.0 112.365 -178.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -87.13 -26.57 23.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 111.361 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 570' ' ' LEU . 49.0 t -77.89 -45.24 28.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.688 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.763 HD11 ' CE1' ' A' ' 563' ' ' PHE . 6.8 mm -58.15 -32.29 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 17.9 ptpt -74.05 -37.34 64.31 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.862 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -63.83 -40.68 97.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.97 0.415 . . . . 0.0 109.941 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 566' ' ' VAL . 24.6 mt -66.52 -34.71 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 48.4 t -72.95 -43.65 62.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 52.0 mtp85 -73.68 -19.72 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.545 -175.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -121.93 -175.53 3.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.056 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 62.3 t -114.48 118.33 58.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 173.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' VAL . . . . . . . . . . . . . 41.0 t -135.08 120.03 28.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -109.77 -34.79 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.465 -173.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 37.5 m -71.44 -42.88 67.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.441 HG11 ' CA ' ' A' ' 528' ' ' PRO . 13.4 m -121.41 138.33 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -113.15 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' ARG . . . . . 0.474 ' HD3' ' H ' ' A' ' 580' ' ' ARG . 0.0 OUTLIER -54.31 -32.15 55.82 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.5 -29.38 66.22 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' HIS . . . . . 0.517 ' HB3' ' HD3' ' A' ' 528' ' ' PRO . 45.1 m80 -76.02 -11.54 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.308 0.575 . . . . 0.0 110.957 -177.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' PHE . . . . . 0.459 ' HD1' ' CE2' ' A' ' 552' ' ' TYR . 44.1 m-85 -106.1 125.43 50.98 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.455 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' SER . . . . . . . . . . . . . 42.4 t -135.3 132.72 38.07 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' PHE . . . . . 0.416 ' HA ' ' HB ' ' A' ' 550' ' ' THR . 51.4 m-85 -103.18 -4.62 24.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.661 -176.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 15.1 m -61.93 116.68 22.88 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.76 10.49 1.63 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.95 2.434 . . . . 0.0 112.204 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -100.82 3.14 41.76 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' MET . . . . . 0.771 ' HG3' HG23 ' A' ' 591' ' ' VAL . 53.2 tpp -100.11 101.31 13.95 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.055 174.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' PRO . . . . . 0.608 ' HB3' HG21 ' A' ' 614' ' ' ILE . 96.5 Cg_endo -79.45 74.14 5.69 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.753 2.302 . . . . 0.0 112.482 -177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.771 HG23 ' HG3' ' A' ' 589' ' ' MET . 74.6 t -109.14 -69.29 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' GLY . . . . . . . . . . . . . . . -91.25 -102.5 1.29 Allowed Glycine 0 CA--C 1.506 -0.511 0 C-N-CA 119.482 -1.342 . . . . 0.0 112.73 -171.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 595' ' ' PHE . 22.9 m-20 -111.3 135.61 51.59 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 590' ' ' PRO . 12.8 m-85 -122.36 131.52 53.94 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.989 175.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 593' ' ' ASP . 16.7 m-85 -131.5 154.92 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.287 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 596' ' ' GLU . 4.4 pt-20 -131.63 131.21 43.02 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.78 122.96 24.12 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -134.51 158.29 44.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.6 -173.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -96.33 139.95 31.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.184 0.516 . . . . 0.0 110.835 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' THR . . . . . 0.56 ' OG1' ' HG2' ' A' ' 602' ' ' GLU . 17.3 p -135.25 163.18 52.86 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.477 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 600' ' ' THR . 24.0 Cg_endo -61.61 -11.36 19.96 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.027 2.484 . . . . 0.0 112.831 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.56 ' HG2' ' OG1' ' A' ' 600' ' ' THR . 12.3 pt-20 -101.26 -16.89 16.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.604 175.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' GLY . . . . . . . . . . . . . . . 138.47 -172.16 23.14 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.148 -1.025 . . . . 0.0 113.558 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 64.9 mt -78.69 119.35 21.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.408 0.623 . . . . 0.0 110.712 177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 600' ' ' THR . 9.2 pt20 -136.0 150.76 49.36 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.876 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -89.36 111.11 21.87 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 36.9 t -92.64 130.28 41.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.163 0.506 . . . . 0.0 110.23 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -73.74 135.14 43.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.747 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 56.2 mt -94.18 142.31 27.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.528 ' O ' HG13 ' A' ' 614' ' ' ILE . 8.8 p -78.98 166.75 22.01 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 614' ' ' ILE . . . -51.89 -35.52 45.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.48 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.98 -29.2 55.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.471 ' HG3' ' OG ' ' A' ' 610' ' ' SER . 39.7 mt-10 -78.32 -32.64 49.34 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.484 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 590' ' ' PRO . 52.5 mt -46.9 -58.37 7.16 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.107 -0.952 . . . . 0.0 113.161 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.553 ' O ' ' HG2' ' A' ' 619' ' ' GLN . 22.6 Cg_endo -61.08 -29.46 87.48 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.573 2.182 . . . . 0.0 112.695 -176.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' SER . . . . . . . . . . . . . 36.9 t -65.98 -40.12 90.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -73.15 -39.31 65.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.539 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 614' ' ' ILE . 60.4 mt -56.67 -42.29 76.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 615' ' ' PRO . 32.1 mm-40 -56.27 -33.89 65.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' ALA . . . . . . . . . . . . . . . -81.03 -42.28 21.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.934 0.397 . . . . 0.0 110.747 -176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 618' ' ' ILE . 34.6 pt -75.97 -9.15 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.448 0.642 . . . . 0.0 109.885 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 123.69 26.96 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.499 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.427 ' HA2' HH12 ' A' ' 545' ' ' ARG . . . -74.16 -72.87 0.97 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.458 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.514 -0.755 . . . . 0.0 110.258 179.771 . . . . . . . . 0 0 . 1 stop_ save_