data_2m13_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 2m13 _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 ' 515' ' ' CYS . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -76.98 -15.5 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.637 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 41.2 mm -69.37 -54.21 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 120.618 0.247 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.6 p -97.08 -26.94 14.81 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.0 m 66.25 20.57 11.07 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 122.798 0.439 . . . . 0.0 111.283 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 51.0 m -92.67 -46.56 7.52 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.308 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -171.24 164.42 4.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.54 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.5 145.94 97.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.642 2.228 . . . . 0.0 112.136 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.86 152.57 24.93 Favored Glycine 0 CA--C 1.546 2.024 0 C-N-CA 121.439 -0.41 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.56 -23.04 6.22 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.854 2.369 . . . . 0.0 112.567 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -98.03 138.92 34.63 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.656 0.265 . . . . 0.0 110.67 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -112.54 140.93 46.88 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 t -117.03 117.05 28.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -85.65 -10.67 55.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.87 146.79 36.21 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.757 0.313 . . . . 0.0 110.955 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -62.08 -25.99 68.02 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.79 -38.58 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.691 0.281 . . . . 0.0 110.869 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.97 -78.51 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 8.8 t80 58.75 46.62 13.98 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.175 0.512 . . . . 0.0 110.764 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -159.64 168.31 26.35 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -90.32 155.65 18.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.135 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -146.56 147.02 30.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.672 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.66 169.8 15.84 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.219 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -55.89 -48.63 75.28 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.4 p -70.45 -42.57 71.33 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 120.744 0.307 . . . . 0.0 111.077 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 54.4 m -66.21 -35.69 81.11 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.116 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -64.87 -47.81 76.53 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.07 -42.32 90.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.65 -43.66 92.91 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.065 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -66.02 -45.18 82.43 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.36 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -95.6 5.32 51.77 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.9 m -68.8 -35.41 76.97 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.6 137.53 57.89 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.854 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.12 146.23 48.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.42 -25.14 29.2 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.18 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.45 5.28 17.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.665 0.269 . . . . 0.0 111.207 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.92 -6.48 38.75 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -90.11 -3.98 57.59 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 120.569 0.223 . . . . 0.0 111.536 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -73.86 161.8 29.78 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 27.1 t -148.77 138.01 12.34 Favored Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.361 1.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 -176.277 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -69.63 -31.39 69.47 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.678 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.9 mm -82.18 -70.28 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.8 p -75.51 -30.49 59.83 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.404 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.3 m 60.07 21.36 10.55 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.532 0.333 . . . . 0.0 111.506 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -10.61 11.76 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.597 0.237 . . . . 0.0 111.52 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.78 157.01 8.92 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 122.335 0.254 . . . . 0.0 110.437 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.95 160.86 30.28 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.693 2.262 . . . . 0.0 112.094 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -113.04 147.62 18.52 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.092 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.42 -23.87 6.94 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.787 2.324 . . . . 0.0 112.466 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -93.95 139.21 31.19 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.816 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.08 134.47 54.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.7 t -103.72 125.61 50.31 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.397 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -86.58 -16.42 36.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.6 144.31 56.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -62.99 -22.07 66.58 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.446 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.93 -37.01 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-O 120.601 0.239 . . . . 0.0 110.826 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.59 -76.71 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 57.35 51.93 9.35 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.873 0.469 . . . . 0.0 111.173 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -162.72 -179.99 7.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -88.64 151.7 22.3 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -146.42 145.08 30.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.3 m -75.1 169.74 17.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.227 171.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -58.66 -49.14 78.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.552 0.215 . . . . 0.0 111.193 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.7 t -70.92 -37.79 72.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.05 -38.3 82.31 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -63.39 -46.28 87.17 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.626 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.33 -41.71 80.51 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.944 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -69.57 -47.15 64.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -58.7 -42.26 88.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.235 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -99.6 15.33 27.0 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.459 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -77.65 -33.72 53.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.855 0.359 . . . . 0.0 110.747 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 63.9 mtt -65.35 141.0 58.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.76 143.58 56.03 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.7 -18.75 56.46 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.507 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.35 9.12 19.8 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.703 0.287 . . . . 0.0 111.206 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -69.03 -13.0 62.19 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.478 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.83 -3.05 58.97 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -74.21 148.71 41.35 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 73.1 m -134.7 137.53 27.73 Favored Pre-proline 0 N--CA 1.483 1.209 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.705 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 C--N 1.359 1.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.704 -175.639 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 120.741 0.305 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.79 -20.57 61.84 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.796 -173.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 45.6 mm -73.6 -62.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-O 120.492 0.187 . . . . 0.0 110.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.31 -28.81 25.02 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.379 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 40.5 p 60.56 18.97 8.85 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 123.03 0.532 . . . . 0.0 111.811 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 72.1 p -115.25 -20.09 10.51 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -152.6 157.15 33.58 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.171 0.189 . . . . 0.0 110.733 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.36 151.87 83.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.551 2.167 . . . . 0.0 112.116 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.58 110.38 3.96 Favored Glycine 0 CA--C 1.545 1.94 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.8 -14.78 39.72 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.479 2.119 . . . . 0.0 112.631 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -105.67 149.6 26.21 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.862 0.363 . . . . 0.0 110.654 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -135.68 130.27 34.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.335 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.25 130.24 44.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -89.81 -3.23 58.24 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.72 149.47 43.74 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.688 0.28 . . . . 0.0 110.966 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -65.37 -26.8 68.17 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.84 -35.71 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.719 0.295 . . . . 0.0 110.823 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.79 -86.57 0.49 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.5 t80 61.92 38.27 14.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.717 0.407 . . . . 0.0 111.128 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -141.4 176.9 8.49 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.94 143.06 27.11 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.65 152.09 43.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 111.208 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.7 m -92.24 173.42 7.83 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.2 69.55 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 49.5 m -72.17 -37.45 69.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.681 0.277 . . . . 0.0 111.16 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.54 -36.62 81.35 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -65.19 -47.8 75.69 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -59.04 -39.89 83.36 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.857 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -65.02 -45.68 84.51 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.061 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -67.11 -48.84 66.92 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.313 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -86.22 -0.38 55.61 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.701 -170.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.4 t -69.45 -30.41 68.31 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.939 0.399 . . . . 0.0 110.524 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -57.12 136.99 56.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.15 139.81 58.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 94.81 -10.13 70.55 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.662 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.1 15.53 20.54 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 116.835 0.317 . . . . 0.0 111.024 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -68.98 -16.4 63.72 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.492 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -87.73 2.11 52.03 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 120.659 0.266 . . . . 0.0 111.651 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -77.64 146.54 36.05 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 120.967 0.413 . . . . 0.0 111.077 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.3 t -149.06 141.64 15.32 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.383 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo . . . . . 0 C--N 1.357 0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 112.116 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -71.26 -30.84 66.79 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.773 -174.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.47 -66.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.313 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.2 p -81.17 -26.6 35.91 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.438 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.0 m 57.45 23.59 9.25 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.487 0.315 . . . . 0.0 111.652 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 71.1 m -115.15 -6.77 12.47 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.437 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.07 159.21 7.76 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 122.478 0.311 . . . . 0.0 110.343 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.13 149.98 47.15 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.326 2.017 . . . . 0.0 111.823 171.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.04 141.23 15.44 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 -17.74 18.93 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.672 2.248 . . . . 0.0 112.458 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -105.24 140.43 38.4 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.777 0.322 . . . . 0.0 110.7 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.34 132.76 54.96 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.375 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.8 128.27 44.32 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.5 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -0.17 57.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.91 152.04 41.63 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.65 -28.06 68.17 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.22 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.83 -41.78 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 120.66 0.266 . . . . 0.0 110.71 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.36 -83.04 0.46 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 -175.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.07 37.74 14.47 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.747 0.419 . . . . 0.0 111.151 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -140.89 176.48 8.77 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -91.47 150.07 21.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -147.96 146.86 29.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.5 m -81.38 177.17 9.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.222 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -56.93 -57.65 11.6 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.67 0.272 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.2 m -69.96 -33.39 72.04 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.712 0.292 . . . . 0.0 111.043 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.11 -38.74 79.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.011 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -65.13 -45.9 83.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.77 -44.15 86.01 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.811 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.12 -44.88 94.37 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.18 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.13 -48.77 69.74 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.239 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.87 -2.73 58.73 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.741 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 47.8 t -66.23 -31.77 72.79 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 62.5 mtt -59.37 134.47 57.03 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.77 146.88 53.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.972 0.415 . . . . 0.0 110.846 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.0 -17.11 59.96 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.404 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.2 mp -112.25 8.51 19.79 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 122.399 0.28 . . . . 0.0 111.109 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -68.08 -11.32 58.84 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -89.01 -2.34 58.53 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -74.48 162.26 28.99 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 35.7 p -148.73 138.98 13.13 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.809 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--N 1.359 1.111 0 C-N-CA 122.777 2.318 . . . . 0.0 112.553 -176.617 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 CA--C 1.538 0.507 0 CA-C-O 120.668 0.27 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.27 -15.9 61.91 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.891 -172.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.73 -64.33 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 120.519 0.199 . . . . 0.0 110.987 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -87.92 -29.61 20.7 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.7 m 61.23 17.68 8.41 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.643 0.377 . . . . 0.0 111.727 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.4 t -104.86 -12.16 16.39 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.45 156.05 12.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.483 0.313 . . . . 0.0 110.297 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.79 138.26 28.59 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.378 2.052 . . . . 0.0 112.159 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.84 124.33 7.23 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.35 -13.41 20.7 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.632 2.221 . . . . 0.0 112.482 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -107.21 140.5 39.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -129.89 131.26 45.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.08 131.55 43.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -92.76 -8.38 43.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.833 -172.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.91 146.04 55.48 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.49 -25.35 68.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.218 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.43 -36.99 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-O 120.645 0.26 . . . . 0.0 110.913 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 90.4 m -105.91 -84.33 0.51 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.047 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.7 t80 60.3 41.49 16.35 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.003 0.43 . . . . 0.0 110.892 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -140.61 169.73 17.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.191 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.5 143.06 26.73 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.633 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -143.6 148.31 35.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 111.289 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.18 178.22 7.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.071 169.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -56.76 -51.9 67.07 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.698 0.285 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 20.2 m -72.22 -37.24 69.25 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.158 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 51.8 m -68.72 -36.38 78.35 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.001 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -65.98 -46.8 76.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.525 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.57 -42.04 82.3 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -66.69 -47.59 71.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.034 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -60.68 -43.92 97.12 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.176 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -93.63 6.62 47.66 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.56 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 14.6 t -70.85 -29.64 65.82 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.966 0.412 . . . . 0.0 110.63 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 19.3 mmt -59.17 141.05 55.19 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -61.55 137.36 58.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.89 -8.79 73.49 Favored Glycine 0 CA--C 1.541 1.712 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.19 8.84 20.02 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.943 0.372 . . . . 0.0 111.282 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.96 -10.43 58.56 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.57 0.224 . . . . 0.0 111.564 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -87.25 -4.1 59.07 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 122.299 0.239 . . . . 0.0 111.592 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -72.45 151.34 42.62 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.937 0.399 . . . . 0.0 111.122 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 33.0 p -149.03 151.91 35.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--N 1.354 0.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.229 179.711 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.852 0.358 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.92 -15.23 61.14 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.757 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.6 mm -85.91 -61.87 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.461 0.172 . . . . 0.0 111.02 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.1 -26.17 25.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.507 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 m 58.51 24.55 12.02 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.565 0.346 . . . . 0.0 111.577 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 61.6 m -122.64 -16.1 7.32 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -154.32 154.86 30.24 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 122.528 0.331 . . . . 0.0 110.235 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.34 139.74 29.43 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.377 2.051 . . . . 0.0 111.88 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.97 117.29 4.86 Favored Glycine 0 CA--C 1.544 1.86 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -71.13 -20.61 28.32 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.515 2.143 . . . . 0.0 112.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -98.87 143.78 28.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.815 0.34 . . . . 0.0 110.655 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -129.79 132.94 46.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.2 t -104.49 126.98 52.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.198 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -8.81 48.34 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.08 147.63 46.75 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.96 -26.65 68.33 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.198 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.36 -36.39 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 120.64 0.257 . . . . 0.0 110.861 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.4 m -107.0 -82.6 0.54 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.7 t80 58.51 40.54 23.77 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 120.922 0.392 . . . . 0.0 110.937 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -143.65 172.36 12.92 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.11 144.87 25.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -144.12 150.41 38.06 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.919 0.39 . . . . 0.0 111.295 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.6 m -89.6 173.86 8.08 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.953 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.28 -41.49 79.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 16.2 m -77.14 -39.52 48.95 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.775 0.322 . . . . 0.0 111.078 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.99 -34.39 75.22 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.022 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -66.19 -47.12 74.99 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.45 -43.9 88.99 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.775 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.74 -45.04 95.63 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.148 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -67.1 -47.71 70.37 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.247 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -89.06 2.33 54.23 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.73 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.9 m -68.78 -30.33 68.9 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.677 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.31 138.8 57.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.12 147.12 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.7 -13.52 67.26 Favored Glycine 0 CA--C 1.542 1.744 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.577 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.05 15.38 20.64 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.094 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.34 -17.34 64.71 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.497 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -86.63 -2.63 58.67 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -77.88 147.71 34.96 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 120.848 0.356 . . . . 0.0 111.024 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.8 p -148.96 149.2 29.53 Favored Pre-proline 0 CA--C 1.554 1.119 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.53 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 C--N 1.355 0.869 0 C-N-CA 122.593 2.195 . . . . 0.0 112.314 -176.161 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 120.899 0.38 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.74 -32.89 73.81 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.74 -175.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.87 -65.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.139 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 p -80.59 -33.95 35.58 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.361 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.5 m 63.97 8.56 4.0 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 122.775 0.43 . . . . 0.0 111.768 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 63.4 p -110.46 -11.45 14.49 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.311 0.244 . . . . 0.0 111.284 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -146.94 151.43 41.66 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.343 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.51 146.02 21.33 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.714 2.276 . . . . 0.0 112.307 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -109.4 137.49 14.24 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.34 -20.07 8.63 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.672 2.248 . . . . 0.0 112.779 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -97.91 139.94 33.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.21 135.29 53.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.6 t -106.24 130.53 54.09 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.42 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.88 -17.48 27.98 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.45 146.04 52.52 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.31 -25.82 67.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.207 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 11.5 t -63.84 -31.22 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.953 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 71.0 m -115.05 -80.74 0.6 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.01 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.3 52.46 8.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.008 0.432 . . . . 0.0 111.082 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -165.57 -179.95 5.72 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -89.7 151.72 21.71 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.0 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -146.25 144.32 29.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.8 m -76.62 168.85 19.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.082 170.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -57.79 -46.9 83.95 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.701 0.286 . . . . 0.0 111.097 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.9 p -70.65 -42.29 71.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.767 0.317 . . . . 0.0 111.071 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 85.0 m -66.44 -37.37 85.01 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -64.36 -48.14 76.66 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.647 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.23 -40.12 80.88 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.821 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -66.44 -46.57 76.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.137 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -47.86 70.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.756 0.313 . . . . 0.0 111.096 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -85.52 3.13 41.81 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.583 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.8 t -66.3 -31.96 73.08 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -57.33 137.33 56.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.73 139.16 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.39 -11.04 63.4 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.5 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.98 11.86 20.64 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -70.5 -12.44 61.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.51 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -86.24 -4.36 59.15 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 122.308 0.243 . . . . 0.0 111.649 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -74.34 156.53 37.01 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.87 0.366 . . . . 0.0 110.777 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 56.6 p -148.72 141.93 15.73 Favored Pre-proline 0 CA--C 1.554 1.133 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.825 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo . . . . . 0 C--N 1.359 1.105 0 C-N-CA 122.789 2.326 . . . . 0.0 112.496 -176.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 28.0 t . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 120.835 0.35 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -64.08 -36.95 85.7 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.76 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.2 -71.27 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -171.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.8 p -76.8 -35.8 57.37 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -172.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 19.8 m 64.08 12.0 6.63 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.747 0.419 . . . . 0.0 111.579 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 42.0 m -91.41 -8.64 47.32 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.649 0.261 . . . . 0.0 111.405 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.79 158.96 11.25 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 122.465 0.306 . . . . 0.0 110.36 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.56 149.18 55.12 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.404 2.07 . . . . 0.0 112.021 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.71 133.32 11.3 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.895 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 -14.35 17.86 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 122.569 2.179 . . . . 0.0 112.525 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -108.04 140.94 40.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.738 0.304 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -125.6 131.43 52.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.244 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.7 t -97.06 133.07 42.21 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -94.11 -4.66 48.89 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.99 149.68 43.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.67 -26.75 68.52 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.07 -36.56 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 120.621 0.248 . . . . 0.0 110.873 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.6 m -107.95 -78.73 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.101 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.7 t80 56.39 48.57 16.7 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.07 0.462 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -157.48 178.24 10.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -91.74 150.12 21.27 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -147.26 149.5 33.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -78.68 174.44 11.4 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.264 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -56.33 -56.9 15.34 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.742 0.306 . . . . 0.0 111.124 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.4 m -69.97 -33.65 72.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.136 -176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.08 -39.17 79.21 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -63.82 -46.74 83.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.653 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.32 -43.56 88.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.822 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -64.96 -44.29 89.89 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.977 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -64.19 -47.55 79.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -91.46 3.47 54.89 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.5 m -74.14 -29.85 62.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.63 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.76 137.03 56.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.25 135.24 57.67 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.765 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.61 -14.51 60.54 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.654 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.24 12.65 20.37 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.841 0.32 . . . . 0.0 111.17 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -70.12 -12.32 61.52 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.508 0.194 . . . . 0.0 111.452 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -91.3 2.95 56.01 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 122.428 0.291 . . . . 0.0 111.704 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -78.77 149.96 32.52 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -145.0 145.42 27.26 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 C--N 1.356 0.966 0 C-N-CA 122.686 2.257 . . . . 0.0 112.161 179.626 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -70.56 -23.33 62.59 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.706 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.62 -56.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-O 120.678 0.275 . . . . 0.0 110.814 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 p -91.5 -33.59 15.13 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.36 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.36 17.84 10.76 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 122.7 0.4 . . . . 0.0 111.473 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.3 p -113.2 -16.96 12.46 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -166.98 156.2 9.62 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 120.508 0.194 . . . . 0.0 110.815 -174.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.92 150.43 34.33 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.635 2.223 . . . . 0.0 112.062 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.86 132.65 11.37 Favored Glycine 0 CA--C 1.546 2.017 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.19 -21.55 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.74 2.293 . . . . 0.0 112.58 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.98 139.92 31.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -113.96 134.91 54.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.7 t -101.1 129.57 47.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -93.52 -5.97 47.85 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.63 149.99 43.43 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -64.25 -26.94 68.73 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.235 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 31.6 t -65.39 -36.81 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.656 0.265 . . . . 0.0 110.915 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.79 -76.08 0.62 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.4 t80 56.54 47.34 18.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.779 0.432 . . . . 0.0 111.128 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -162.12 -179.97 7.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -90.59 152.2 20.99 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.37 152.53 38.33 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.676 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.5 m -81.67 173.4 12.37 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.34 -51.08 71.33 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.702 0.286 . . . . 0.0 111.157 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.6 m -70.7 -36.74 73.42 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 47.5 m -69.68 -39.08 77.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -63.25 -46.54 86.39 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.628 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -56.72 -46.06 81.52 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.3 -45.12 92.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.09 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -65.86 -46.85 76.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.37 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -91.48 -3.41 56.62 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 9.2 m -66.87 -31.79 72.62 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.2 mmt -58.01 136.0 57.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.71 137.91 58.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.675 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.53 -18.58 53.09 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.596 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.28 7.32 19.31 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.861 0.331 . . . . 0.0 111.239 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.93 -4.6 33.13 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -92.92 1.04 57.5 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 122.415 0.286 . . . . 0.0 111.502 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -78.15 162.72 26.42 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 24.5 t -148.77 135.92 10.7 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.36 1.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.597 -176.128 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.748 0.309 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -69.69 -24.21 63.55 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.741 -172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.0 mm -81.41 -64.26 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.118 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.18 -29.69 21.57 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.5 m 62.11 20.17 11.43 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.654 0.382 . . . . 0.0 111.399 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.7 m -97.61 -23.22 16.08 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -170.82 156.65 5.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.584 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.18 143.75 40.49 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.527 2.152 . . . . 0.0 111.892 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -95.25 156.0 21.57 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.317 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.9 -26.14 6.96 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.843 2.362 . . . . 0.0 112.597 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -91.42 140.02 30.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.729 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -122.74 133.11 54.49 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.493 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.1 t -104.37 123.21 47.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.578 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -84.22 -12.83 54.15 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.51 146.77 47.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.694 0.283 . . . . 0.0 110.97 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.53 -23.38 67.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.96 -34.96 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 120.661 0.267 . . . . 0.0 110.705 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.17 -83.98 0.55 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -175.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 61.74 36.88 16.1 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.856 0.462 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -141.69 172.62 12.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -90.11 157.23 17.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -149.43 147.26 28.04 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.961 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -73.41 168.26 19.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.298 171.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -57.78 -47.22 83.16 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.204 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -73.33 -40.54 64.38 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.791 0.329 . . . . 0.0 111.04 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.27 -37.83 86.39 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.08 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -63.0 -47.54 82.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.64 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -57.61 -41.32 81.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.857 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -68.37 -45.76 71.88 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -40.68 92.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.289 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -92.79 2.61 56.66 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.554 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -31.28 70.45 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.95 0.405 . . . . 0.0 110.642 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 20.3 mmt -57.5 138.99 54.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.4 142.24 58.49 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.63 -14.77 63.76 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.1 11.96 20.48 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -67.98 -13.58 62.29 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.475 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -88.25 -2.46 58.62 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -75.39 143.77 42.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.2 m -146.02 143.89 20.53 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo . . . . . 0 C--N 1.355 0.904 0 C-N-CA 122.7 2.266 . . . . 0.0 112.262 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.8 0.333 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.2 -33.62 75.76 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.768 -173.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.2 mm -73.12 -58.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.185 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.8 p -91.54 -24.78 19.51 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.5 m 59.43 25.12 13.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 122.555 0.342 . . . . 0.0 111.284 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.0 t -98.39 -39.6 8.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.241 -176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -172.09 157.66 4.09 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.402 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.13 134.78 37.96 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.442 2.095 . . . . 0.0 111.798 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -79.57 156.47 40.89 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.224 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.32 -22.04 11.31 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.858 2.372 . . . . 0.0 112.511 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -98.91 139.53 34.44 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.558 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -118.13 131.34 56.42 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.383 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 40.8 t -97.07 123.95 40.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.53 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 2.46 56.62 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.64 151.4 43.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -65.45 -28.02 68.93 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.26 -41.29 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 120.59 0.233 . . . . 0.0 110.818 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 86.9 m -101.08 -79.21 0.51 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.183 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 58.53 48.06 12.52 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.143 0.497 . . . . 0.0 110.775 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -157.67 172.22 18.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -91.26 153.45 19.96 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.3 147.01 28.83 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.99 174.3 10.79 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 174.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.56 -48.1 75.32 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.668 0.27 . . . . 0.0 111.196 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.1 p -74.5 -40.89 61.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.692 0.282 . . . . 0.0 111.077 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.11 -35.87 81.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -66.3 -46.06 78.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -58.41 -43.23 88.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -65.61 -45.9 81.36 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.115 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -62.01 -45.16 94.85 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -94.44 1.8 55.77 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -171.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 34.1 t -69.01 -32.07 71.34 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 58.2 ttm -58.63 135.74 57.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.72 137.87 57.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.761 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.24 59.69 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.646 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.3 mp -112.23 6.72 19.14 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 116.81 0.305 . . . . 0.0 111.256 177.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -71.0 -8.23 51.84 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -89.06 -3.33 58.71 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -72.38 158.31 36.01 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.999 0.428 . . . . 0.0 111.097 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 52.8 p -148.9 144.15 17.87 Favored Pre-proline 0 CA--C 1.553 1.063 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo . . . . . 0 C--N 1.357 1.02 0 C-N-CA 122.823 2.349 . . . . 0.0 112.315 -178.404 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.58 -26.84 64.66 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.695 -173.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 29.7 mm -77.11 -63.94 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.057 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.92 -27.15 26.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.515 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.1 m 58.31 21.43 8.25 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.58 0.352 . . . . 0.0 111.656 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.5 m -116.61 -9.17 11.4 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.521 -175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.88 158.51 7.84 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 122.334 0.253 . . . . 0.0 110.552 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.61 155.9 44.83 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.13 . . . . 0.0 111.832 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.64 144.46 16.42 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 -21.9 12.64 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.748 2.298 . . . . 0.0 112.539 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -102.4 139.44 38.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 110.753 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -117.23 136.51 53.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.02 127.83 43.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -91.37 3.26 55.35 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.101 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.8 150.82 32.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 111.052 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -60.92 -29.31 69.52 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.09 -37.1 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.081 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.4 m -104.6 -80.0 0.54 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.517 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.2 57.98 6.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.623 -171.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . 0.408 ' HD3' ' H ' ' A' ' 535' ' ' TYR . 16.8 tppt? -158.13 154.6 27.72 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.912 -173.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . 0.408 ' H ' ' HD3' ' A' ' 534' ' ' LYS . 3.3 m-30 -81.42 144.97 31.03 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -144.57 146.96 32.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.853 0.359 . . . . 0.0 111.116 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.15 171.25 14.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.224 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -48.17 82.67 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 120.771 0.32 . . . . 0.0 111.047 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -40.93 72.14 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.59 -38.71 87.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.017 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -62.62 -46.08 89.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.694 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -58.51 -46.03 87.55 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.23 -42.47 98.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -47.31 62.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -91.13 -8.28 49.21 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 40.7 t -62.85 -32.59 73.86 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.633 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 60.5 mtt -57.46 134.59 56.2 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.33 144.59 50.25 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 97.89 -21.7 44.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.484 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.34 7.1 19.13 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.818 0.309 . . . . 0.0 111.26 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.19 -4.3 28.51 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -175.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -93.09 1.72 57.08 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 122.391 0.276 . . . . 0.0 111.483 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -77.76 158.38 29.61 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 13.1 m -143.52 140.66 17.75 Favored Pre-proline 0 N--CA 1.481 1.109 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo . . . . . 0 C--N 1.357 0.987 0 C-N-CA 122.805 2.337 . . . . 0.0 112.071 177.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 120.774 0.321 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.06 -32.27 73.63 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 42.6 mm -82.79 -64.3 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.223 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.61 -29.74 27.49 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.531 -172.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 36.6 m 59.3 18.51 6.73 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 122.518 0.327 . . . . 0.0 111.7 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 66.3 m -113.01 -5.76 13.77 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 120.586 0.231 . . . . 0.0 111.366 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.85 155.1 10.73 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 122.496 0.319 . . . . 0.0 110.238 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.13 137.46 23.86 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.53 2.153 . . . . 0.0 112.08 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -90.75 127.99 9.08 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.65 -23.44 14.6 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.598 2.199 . . . . 0.0 112.701 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -93.13 143.63 26.06 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.796 0.332 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -127.88 131.42 49.43 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.2 131.03 44.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -90.11 -2.38 58.08 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.48 149.03 40.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.61 -23.91 66.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.401 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.68 -37.05 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 120.698 0.285 . . . . 0.0 110.779 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.42 -84.41 0.5 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 1.7 t80 60.1 35.06 21.28 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.743 0.417 . . . . 0.0 111.255 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -140.86 176.84 8.47 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -88.23 146.73 25.19 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -145.16 150.85 37.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.0 m -85.52 175.84 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.204 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -58.97 -53.93 52.86 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.1 m -71.57 -33.88 69.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.39 -40.33 77.43 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.877 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -61.95 -45.84 91.9 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.625 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -57.47 -45.92 84.27 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.787 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.93 -45.04 95.44 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.096 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.59 78.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.148 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -90.02 -4.57 57.34 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -171.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.8 -32.55 74.14 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.812 0.339 . . . . 0.0 110.598 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.2 mmt -57.66 136.1 56.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.18 143.35 55.71 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.14 -15.68 62.49 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.598 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.07 14.71 20.75 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -69.35 -13.22 62.26 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.485 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -88.62 1.66 54.59 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 122.341 0.256 . . . . 0.0 111.665 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -79.92 147.28 31.71 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 120.879 0.371 . . . . 0.0 111.201 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 81.1 p -149.15 150.13 31.24 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.354 0.837 0 C-N-CA 122.923 2.415 . . . . 0.0 112.082 177.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -71.43 -28.43 63.97 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.649 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.26 -65.6 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.032 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.5 p -81.69 -29.42 33.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.496 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.4 m 59.42 25.86 14.67 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.587 0.355 . . . . 0.0 111.422 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.8 p -132.4 -0.59 3.6 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.524 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -160.48 140.59 8.43 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.42 136.45 23.96 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.398 2.065 . . . . 0.0 111.834 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.71 128.6 8.99 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.087 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.38 -15.8 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 176.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -104.44 144.88 31.06 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-O 120.736 0.303 . . . . 0.0 110.704 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -130.42 132.44 45.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.141 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 125.93 42.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -88.01 -0.4 56.97 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.32 151.66 39.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.04 -24.62 66.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.94 -37.42 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.618 0.247 . . . . 0.0 110.683 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 76.3 m -105.88 -83.16 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.076 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.4 t80 59.89 39.2 20.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -140.15 171.59 13.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -90.17 145.25 25.17 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.665 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -144.91 146.02 31.82 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.274 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -81.32 175.53 10.51 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.141 169.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.16 -51.72 68.53 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 15.4 m -71.62 -35.05 70.33 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.778 0.323 . . . . 0.0 111.064 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.2 m -70.54 -35.7 73.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.59 -44.72 85.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.496 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -58.15 -41.77 84.46 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.909 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -68.0 -47.4 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.955 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -57.39 -43.06 83.32 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.175 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -98.01 11.97 35.81 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.393 -175.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -69.02 -33.93 74.42 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 64.6 mtt -66.61 145.27 55.78 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.83 156.32 36.6 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.25 -13.42 67.66 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.155 -175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.11 18.64 19.19 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.745 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -62.97 -20.52 65.34 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.529 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -88.49 3.55 49.79 Favored 'General case' 0 CA--C 1.566 1.583 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.798 -175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -81.32 142.08 33.41 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.901 0.382 . . . . 0.0 111.096 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 49.5 m -148.37 148.29 28.36 Favored Pre-proline 0 N--CA 1.476 0.826 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo . . . . . 0 C--N 1.353 0.801 0 C-N-CA 122.641 2.227 . . . . 0.0 112.013 177.696 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 30.3 t . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 120.919 0.39 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -67.79 -38.04 82.83 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.726 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.58 -67.56 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.094 -172.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.9 p -84.48 -38.76 19.71 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.397 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 17.3 m 62.01 19.39 10.74 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 122.654 0.382 . . . . 0.0 111.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 14.9 m -97.37 -4.22 38.85 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.669 0.271 . . . . 0.0 111.156 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -167.28 145.03 3.97 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.183 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.04 140.09 87.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.478 2.119 . . . . 0.0 112.11 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.48 126.97 8.67 Favored Glycine 0 CA--C 1.546 1.993 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.54 -20.7 23.24 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.579 2.186 . . . . 0.0 112.439 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -101.64 142.04 33.58 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -126.4 130.56 50.96 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 43.0 t -97.11 129.91 44.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -3.33 56.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.76 145.63 46.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -64.06 -22.84 67.1 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 33.7 t -68.11 -38.19 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 120.667 0.27 . . . . 0.0 110.774 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.7 m -105.65 -78.57 0.57 Allowed 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.936 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.5 t80 57.5 48.47 14.43 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 122.78 0.432 . . . . 0.0 111.097 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -158.81 177.84 10.74 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.95 149.23 21.96 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.52 149.71 34.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 9.8 m -80.74 173.79 12.26 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.22 170.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -59.75 -47.81 84.2 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -72.88 -39.75 66.16 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.7 0.286 . . . . 0.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.7 m -67.18 -35.42 79.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.01 -46.88 79.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.64 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.06 -41.27 83.01 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.879 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.93 -47.3 72.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.965 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.5 -44.75 93.04 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.263 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -94.03 9.42 37.7 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.487 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 20.6 t -73.0 -31.81 64.74 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.54 139.0 57.52 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.89 140.55 58.88 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.66 -10.65 68.7 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.599 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.08 11.1 20.42 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 116.844 0.322 . . . . 0.0 111.036 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.41 -15.2 63.54 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.582 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -85.9 -3.61 58.96 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -73.03 147.65 44.87 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.5 m -144.81 145.76 29.08 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.479 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 C--N 1.356 0.948 0 C-N-CA 122.741 2.294 . . . . 0.0 112.225 179.834 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.794 0.331 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.78 -33.36 64.2 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.709 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.2 -67.85 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.229 -172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.48 -28.19 46.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 42.6 m 57.03 24.82 10.0 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 122.49 0.316 . . . . 0.0 111.518 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.0 m -119.04 -6.56 10.46 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.413 -175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -168.02 160.24 9.47 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 122.463 0.305 . . . . 0.0 110.387 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.66 153.57 76.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.571 2.181 . . . . 0.0 112.374 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -100.28 109.46 3.71 Favored Glycine 0 CA--C 1.546 1.975 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.03 -15.72 47.54 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 122.604 2.203 . . . . 0.0 112.588 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -110.14 144.75 38.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.859 0.361 . . . . 0.0 110.717 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -130.27 133.16 46.29 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.097 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.17 130.05 44.46 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -90.72 -1.45 57.86 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.34 151.65 41.19 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.846 0.355 . . . . 0.0 111.084 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -31.08 70.99 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.216 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.81 -40.96 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.863 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.5 m -98.51 -86.26 0.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.925 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.6 t80 62.72 37.98 12.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.789 0.436 . . . . 0.0 111.093 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -141.22 177.35 8.15 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.068 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -92.85 143.5 26.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.4 150.85 38.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.176 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 14.8 m -87.43 176.8 7.33 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.11 -44.83 92.01 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.127 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.8 p -73.79 -42.02 61.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.67 -35.16 79.98 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -65.18 -46.15 81.98 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.65 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -58.5 -40.93 84.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.925 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -67.73 -47.36 69.54 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.059 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.86 -43.79 90.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.288 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -96.03 11.42 34.13 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.473 -174.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -73.49 -32.31 64.21 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.842 0.353 . . . . 0.0 110.709 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -62.82 141.0 58.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.71 143.84 57.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.19 -11.23 69.36 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.626 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mp -112.11 13.25 20.6 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.707 0.289 . . . . 0.0 110.994 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -68.4 -14.66 63.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.586 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -87.99 1.89 53.08 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 122.341 0.256 . . . . 0.0 111.69 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -78.86 150.51 32.2 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.915 0.388 . . . . 0.0 111.144 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 80.1 p -149.1 149.77 30.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo . . . . . 0 C--N 1.356 0.952 0 C-N-CA 122.814 2.343 . . . . 0.0 112.215 178.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -69.72 -17.51 63.46 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.792 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.82 -58.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 120.564 0.221 . . . . 0.0 110.853 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.56 -31.94 13.67 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.607 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.3 m 63.62 14.25 7.97 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 122.933 0.493 . . . . 0.0 111.796 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.5 p -105.34 -11.22 16.57 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 120.609 0.242 . . . . 0.0 111.497 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -168.21 156.46 8.05 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.45 -174.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -75.38 144.65 29.27 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.525 2.15 . . . . 0.0 112.178 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -94.55 121.09 6.62 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.09 -23.51 12.0 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.607 2.205 . . . . 0.0 112.708 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.18 143.68 26.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.712 0.292 . . . . 0.0 110.782 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -125.36 132.72 52.76 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 53.8 t -97.17 134.97 39.79 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.565 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -94.69 -4.13 48.07 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.41 148.56 39.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.751 0.31 . . . . 0.0 110.797 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.6 -23.03 66.73 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.468 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.34 -36.16 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 120.646 0.26 . . . . 0.0 110.808 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.35 -76.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.117 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.5 t80 53.15 49.23 20.43 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 121.005 0.431 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 176.53 12.06 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.079 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -87.72 148.4 24.77 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -146.35 151.37 37.38 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.7 m -86.25 171.8 10.97 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.979 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -57.86 -45.97 85.51 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.686 0.279 . . . . 0.0 110.954 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 9.7 p -69.99 -44.25 69.78 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 42.3 m -65.61 -36.23 83.11 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.059 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -64.61 -49.16 72.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.632 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.55 -42.0 91.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.73 177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -63.22 -43.02 99.26 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.168 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -73.68 -47.65 38.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.695 0.283 . . . . 0.0 111.553 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.16 -11.06 53.57 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -169.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.7 t -67.73 -30.84 70.42 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -52.66 133.94 36.18 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.37 133.57 55.85 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.88 -19.72 48.55 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.493 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.41 5.65 18.24 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 116.899 0.35 . . . . 0.0 111.355 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -70.52 -4.58 23.6 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -93.94 0.15 55.92 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 122.421 0.288 . . . . 0.0 111.624 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -76.27 154.27 35.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.931 0.396 . . . . 0.0 111.201 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 78.1 p -149.08 150.32 31.87 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 122.707 2.272 . . . . 0.0 112.042 178.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 120.709 0.29 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -71.72 -15.07 62.19 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.885 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 38.2 mm -76.35 -57.42 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-O 120.608 0.242 . . . . 0.0 110.797 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.35 -29.18 17.25 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.456 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.2 m 61.34 23.6 13.82 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.748 0.419 . . . . 0.0 111.601 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.7 p -120.3 -25.76 5.59 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -152.02 154.29 32.41 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 122.405 0.282 . . . . 0.0 110.48 -175.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.64 144.82 28.65 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.74 131.4 10.53 Favored Glycine 0 CA--C 1.546 2.025 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.029 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.52 -23.18 8.72 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.738 2.292 . . . . 0.0 112.537 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -97.81 140.87 31.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.658 0.266 . . . . 0.0 110.661 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -117.45 135.25 54.04 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.61 126.86 47.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.427 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -3.62 57.12 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -71.57 148.58 46.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.02 -23.56 66.58 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.367 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 43.4 t -68.35 -40.14 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 120.637 0.256 . . . . 0.0 110.742 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.88 -76.14 0.6 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.8 t80 55.76 49.02 17.05 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.941 0.401 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.15 176.76 11.57 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -94.14 147.75 22.86 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -146.51 147.48 31.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.943 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.03 176.26 9.9 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.275 171.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.88 -52.45 65.45 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.674 0.273 . . . . 0.0 111.186 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.5 m -70.83 -35.91 72.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.55 -36.58 76.47 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -65.27 -46.12 81.75 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.497 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -57.22 -45.34 83.95 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.803 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.48 -44.94 92.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.04 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -63.17 -43.93 96.87 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.318 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -95.87 5.02 52.28 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -171.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.5 m -69.0 -31.1 69.68 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.829 0.347 . . . . 0.0 110.7 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.1 ttt -58.02 131.38 50.3 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.08 138.05 58.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.83 58.42 Favored Glycine 0 CA--C 1.537 1.465 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.403 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.14 10.2 20.23 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -68.68 -12.16 61.06 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -87.68 -1.99 58.32 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -76.32 154.74 34.8 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 51.0 m -143.24 139.25 16.41 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.635 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 C--N 1.359 1.081 0 C-N-CA 122.74 2.293 . . . . 0.0 112.451 -177.561 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 N--CA 1.472 0.666 0 CA-C-O 120.652 0.263 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -73.47 -19.04 61.05 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.739 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 33.8 mm -71.39 -59.51 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.618 0.247 . . . . 0.0 110.84 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.78 -27.66 18.75 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.448 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 50.5 m 58.72 22.44 10.0 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.716 0.406 . . . . 0.0 111.528 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.8 m -117.86 -10.58 10.43 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.594 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -169.26 156.11 6.52 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 122.315 0.246 . . . . 0.0 110.486 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.63 140.27 35.64 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.605 2.203 . . . . 0.0 112.09 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -87.08 119.06 5.11 Favored Glycine 0 CA--C 1.546 1.998 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -64.54 -23.46 64.24 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.537 2.158 . . . . 0.0 112.713 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -102.62 146.47 28.13 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -129.64 130.49 45.66 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.108 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 48.5 t -97.01 116.61 29.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.485 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 10.48 17.86 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.917 -173.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.69 147.04 44.02 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.451 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -21.85 66.87 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.569 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.1 t -71.65 -36.35 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-O 120.691 0.282 . . . . 0.0 110.873 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 97.2 m -104.33 -82.31 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.051 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.6 t80 58.57 46.81 14.23 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.08 175.82 11.37 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.37 144.68 25.88 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -145.71 147.31 31.8 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.046 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.71 174.15 9.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.871 169.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -42.67 87.24 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.7 0.286 . . . . 0.0 110.935 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.6 p -75.19 -44.04 48.68 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.111 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 39.7 m -63.41 -34.69 78.28 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -65.79 -48.21 72.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.641 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -58.33 -41.77 85.33 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.848 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.59 -45.73 89.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.071 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.28 -48.93 68.82 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.253 -175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -86.33 -1.93 57.96 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.732 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 32.0 t -70.21 -28.45 65.29 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 66.6 mtt -56.09 142.56 36.12 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.203 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.85 131.45 50.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.981 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.61 -8.76 66.35 Favored Glycine 0 CA--C 1.541 1.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.925 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -112.24 11.99 20.28 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 117.034 0.417 . . . . 0.0 111.292 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -66.57 -16.53 64.23 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -86.55 -2.89 58.86 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 111.72 0.266 . . . . 0.0 111.72 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.77 147.42 48.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.023 0.439 . . . . 0.0 111.316 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.7 p -149.12 149.65 30.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.353 0.805 0 C-N-CA 122.787 2.325 . . . . 0.0 112.104 178.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 34.0 t . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.845 0.355 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -68.16 -20.54 64.89 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.756 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.3 mm -82.04 -63.15 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 120.515 0.198 . . . . 0.0 111.045 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.02 -32.53 17.55 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 18.4 p 64.17 6.81 3.11 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 123.189 0.595 . . . . 0.0 112.142 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.3 p -100.18 -14.97 18.29 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.307 0.243 . . . . 0.0 111.373 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -150.16 153.22 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 122.577 0.351 . . . . 0.0 110.161 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.1 142.56 34.52 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.534 2.156 . . . . 0.0 111.977 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -98.12 112.53 4.49 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 111.921 -0.471 . . . . 0.0 111.921 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.81 -16.7 20.58 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.552 2.168 . . . . 0.0 112.548 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -98.36 144.0 28.21 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -134.65 127.07 30.4 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.24 134.14 40.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.36 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -93.21 -10.52 35.42 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.779 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.24 148.39 50.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 120.747 0.308 . . . . 0.0 110.923 -177.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.88 -26.72 68.91 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.93 -36.85 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 120.61 0.243 . . . . 0.0 110.788 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.9 m -105.93 -85.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.6 t80 56.8 51.74 10.45 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-O 121.055 0.455 . . . . 0.0 110.982 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.36 176.13 12.02 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -87.11 147.37 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.5 149.12 35.41 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 13.9 m -89.42 172.24 9.15 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -58.18 -34.2 70.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.605 0.24 . . . . 0.0 111.227 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 8.5 p -80.22 -44.8 19.1 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.017 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.26 -34.82 78.87 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.129 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -65.44 -46.54 79.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.576 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -58.35 -46.66 85.83 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.657 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -59.46 -45.71 90.85 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.143 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -65.69 -48.48 71.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.311 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -91.69 -5.7 53.29 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.68 -32.53 74.14 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.811 0.339 . . . . 0.0 110.505 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.8 mmt -57.87 138.24 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.88 144.16 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.706 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.69 -17.77 58.68 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.49 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.05 14.6 20.77 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -68.21 -14.9 63.33 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.542 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.25 -3.05 59.03 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -74.56 144.43 44.03 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.4 t -149.22 144.47 18.02 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo . . . . . 0 C--N 1.361 1.201 0 C-N-CA 122.619 2.212 . . . . 0.0 112.263 176.697 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.85 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.81 162.13 35.46 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.921 2.414 . . . . 0.0 112.337 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.4 135.46 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -160.19 165.85 30.77 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.715 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.9 pt -94.19 162.78 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.33 150.79 61.36 Favored Pre-proline 0 CA--C 1.554 1.107 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.57 -7.2 17.6 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.943 2.428 . . . . 0.0 112.828 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.66 -8.42 59.7 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.65 0.262 . . . . 0.0 111.261 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 93.7 mt -130.3 -44.29 1.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 59.14 -159.71 0.29 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.593 0.357 . . . . 0.0 110.909 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -92.98 67.59 4.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.509 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 9.9 t -66.48 123.4 19.91 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.758 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 1.6 tt -71.3 138.38 49.29 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.37 114.44 3.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.6 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -76.98 -15.5 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.637 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 41.2 mm -69.37 -54.21 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 120.618 0.247 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.6 p -97.08 -26.94 14.81 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.0 m 66.25 20.57 11.07 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 122.798 0.439 . . . . 0.0 111.283 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 51.0 m -92.67 -46.56 7.52 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.308 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -171.24 164.42 4.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.54 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.5 145.94 97.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.642 2.228 . . . . 0.0 112.136 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.86 152.57 24.93 Favored Glycine 0 CA--C 1.546 2.024 0 C-N-CA 121.439 -0.41 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.56 -23.04 6.22 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.854 2.369 . . . . 0.0 112.567 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -98.03 138.92 34.63 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.656 0.265 . . . . 0.0 110.67 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -112.54 140.93 46.88 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 t -117.03 117.05 28.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -85.65 -10.67 55.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.87 146.79 36.21 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.757 0.313 . . . . 0.0 110.955 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -62.08 -25.99 68.02 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.79 -38.58 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.691 0.281 . . . . 0.0 110.869 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.97 -78.51 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 8.8 t80 58.75 46.62 13.98 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.175 0.512 . . . . 0.0 110.764 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -159.64 168.31 26.35 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -90.32 155.65 18.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.135 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -146.56 147.02 30.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.672 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.66 169.8 15.84 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.219 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -55.89 -48.63 75.28 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.4 p -70.45 -42.57 71.33 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 120.744 0.307 . . . . 0.0 111.077 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 54.4 m -66.21 -35.69 81.11 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.116 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -64.87 -47.81 76.53 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.07 -42.32 90.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.65 -43.66 92.91 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.065 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -66.02 -45.18 82.43 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.36 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -95.6 5.32 51.77 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.9 m -68.8 -35.41 76.97 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.6 137.53 57.89 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.854 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.12 146.23 48.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.42 -25.14 29.2 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.18 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.45 5.28 17.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.665 0.269 . . . . 0.0 111.207 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.92 -6.48 38.75 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -90.11 -3.98 57.59 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 120.569 0.223 . . . . 0.0 111.536 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -73.86 161.8 29.78 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 27.1 t -148.77 138.01 12.34 Favored Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.11 120.41 6.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.4 mt -104.48 169.1 8.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.277 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 157.54 28.4 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.613 172.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -76.09 119.69 20.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 58.97 -160.98 0.27 Allowed 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -85.35 128.61 34.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.712 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -81.78 -12.49 58.52 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -152.83 139.84 19.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -69.61 -31.13 69.08 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.396 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -161.32 142.9 11.68 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.764 0.316 . . . . 0.0 110.765 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 7.8 t -162.01 169.74 20.52 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.731 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 121.071 0.462 . . . . 0.0 110.851 -179.654 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.79 165.24 31.9 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.915 2.41 . . . . 0.0 112.312 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.56 146.28 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.57 15.1 27.54 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.333 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.8 tt -155.92 156.28 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 120.701 0.286 . . . . 0.0 110.399 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -59.09 130.3 86.65 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.603 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -77.28 178.13 8.01 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.754 2.303 . . . . 0.0 112.579 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 54.83 46.64 24.08 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.267 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 mp -69.83 154.92 41.31 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.533 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.09 -80.12 0.17 Allowed 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.563 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -169.26 116.41 0.61 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.685 0.278 . . . . 0.0 110.699 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 74.7 m -100.25 133.03 45.25 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.03 140.2 47.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.81 136.29 58.03 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -69.63 -31.39 69.47 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.678 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.9 mm -82.18 -70.28 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.8 p -75.51 -30.49 59.83 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.404 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.3 m 60.07 21.36 10.55 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.532 0.333 . . . . 0.0 111.506 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -10.61 11.76 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.597 0.237 . . . . 0.0 111.52 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.78 157.01 8.92 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 122.335 0.254 . . . . 0.0 110.437 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.95 160.86 30.28 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.693 2.262 . . . . 0.0 112.094 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -113.04 147.62 18.52 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.092 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.42 -23.87 6.94 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.787 2.324 . . . . 0.0 112.466 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -93.95 139.21 31.19 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.816 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.08 134.47 54.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.7 t -103.72 125.61 50.31 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.397 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -86.58 -16.42 36.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.6 144.31 56.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -62.99 -22.07 66.58 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.446 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.93 -37.01 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-O 120.601 0.239 . . . . 0.0 110.826 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.59 -76.71 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 57.35 51.93 9.35 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.873 0.469 . . . . 0.0 111.173 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -162.72 -179.99 7.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -88.64 151.7 22.3 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -146.42 145.08 30.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.3 m -75.1 169.74 17.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.227 171.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -58.66 -49.14 78.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.552 0.215 . . . . 0.0 111.193 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.7 t -70.92 -37.79 72.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.05 -38.3 82.31 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -63.39 -46.28 87.17 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.626 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.33 -41.71 80.51 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.944 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -69.57 -47.15 64.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -58.7 -42.26 88.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.235 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -99.6 15.33 27.0 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.459 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -77.65 -33.72 53.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.855 0.359 . . . . 0.0 110.747 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 63.9 mtt -65.35 141.0 58.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.76 143.58 56.03 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.7 -18.75 56.46 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.507 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.35 9.12 19.8 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.703 0.287 . . . . 0.0 111.206 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -69.03 -13.0 62.19 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.478 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.83 -3.05 58.97 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -74.21 148.71 41.35 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 73.1 m -134.7 137.53 27.73 Favored Pre-proline 0 N--CA 1.483 1.209 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.705 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -83.05 120.6 3.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.704 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.2 mt -91.94 163.72 13.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.738 171.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.5 mmt -92.9 132.25 37.2 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.356 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.29 165.54 20.4 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -65.4 156.73 31.34 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -135.5 172.59 12.79 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.97 153.34 43.87 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.917 0.389 . . . . 0.0 111.076 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -67.92 125.68 27.05 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -124.7 0.73 8.14 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.05 -29.47 19.41 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.775 0.322 . . . . 0.0 110.951 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 84.1 p -151.53 177.09 10.67 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.002 0.43 . . . . 0.0 110.894 -178.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.948 0 N-CA-C 112.354 -0.298 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.86 166.8 28.47 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.97 2.446 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 9.4 p -158.93 151.86 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -69.4 -38.0 77.74 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.099 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.1 pt -86.19 51.99 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -103.46 110.63 64.15 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.599 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -82.06 157.33 17.77 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.774 2.316 . . . . 0.0 112.39 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -86.87 34.74 0.67 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 56.7 mt 59.22 -125.37 1.28 Allowed 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.327 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.9 5.79 31.31 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.456 0.169 . . . . 0.0 111.27 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.04 43.57 11.22 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.069 0.462 . . . . 0.0 111.266 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -90.6 144.68 25.53 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.639 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.87 136.76 55.88 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.945 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.23 123.31 20.81 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.534 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.79 -20.57 61.84 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.796 -173.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 45.6 mm -73.6 -62.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-O 120.492 0.187 . . . . 0.0 110.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.31 -28.81 25.02 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.379 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 40.5 p 60.56 18.97 8.85 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 123.03 0.532 . . . . 0.0 111.811 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 72.1 p -115.25 -20.09 10.51 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -152.6 157.15 33.58 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.171 0.189 . . . . 0.0 110.733 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.36 151.87 83.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.551 2.167 . . . . 0.0 112.116 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.58 110.38 3.96 Favored Glycine 0 CA--C 1.545 1.94 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.8 -14.78 39.72 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.479 2.119 . . . . 0.0 112.631 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -105.67 149.6 26.21 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.862 0.363 . . . . 0.0 110.654 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -135.68 130.27 34.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.335 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.25 130.24 44.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -89.81 -3.23 58.24 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.72 149.47 43.74 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.688 0.28 . . . . 0.0 110.966 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -65.37 -26.8 68.17 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.84 -35.71 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.719 0.295 . . . . 0.0 110.823 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.79 -86.57 0.49 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.5 t80 61.92 38.27 14.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.717 0.407 . . . . 0.0 111.128 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -141.4 176.9 8.49 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.94 143.06 27.11 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.65 152.09 43.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 111.208 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.7 m -92.24 173.42 7.83 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.2 69.55 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 49.5 m -72.17 -37.45 69.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.681 0.277 . . . . 0.0 111.16 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.54 -36.62 81.35 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -65.19 -47.8 75.69 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -59.04 -39.89 83.36 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.857 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -65.02 -45.68 84.51 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.061 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -67.11 -48.84 66.92 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.313 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -86.22 -0.38 55.61 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.701 -170.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.4 t -69.45 -30.41 68.31 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.939 0.399 . . . . 0.0 110.524 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -57.12 136.99 56.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.15 139.81 58.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 94.81 -10.13 70.55 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.662 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.1 15.53 20.54 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 116.835 0.317 . . . . 0.0 111.024 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -68.98 -16.4 63.72 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.492 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -87.73 2.11 52.03 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 120.659 0.266 . . . . 0.0 111.651 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -77.64 146.54 36.05 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 120.967 0.413 . . . . 0.0 111.077 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.3 t -149.06 141.64 15.32 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.383 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.36 144.71 23.26 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 112.116 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.39 157.57 31.55 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.141 0.496 . . . . 0.0 111.35 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.2 mmt -69.23 120.62 15.34 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.6 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -82.22 149.96 27.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -92.87 167.8 11.6 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.521 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -94.62 149.29 21.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.382 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -77.34 124.75 28.29 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.711 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -72.89 149.94 43.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.749 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -126.59 140.12 52.67 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.636 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -156.06 140.86 17.11 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 69.4 m -88.84 -30.17 19.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.099 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.072 0.463 . . . . 0.0 110.738 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 112.388 -0.285 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -74.15 161.06 41.57 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.95 2.433 . . . . 0.0 112.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 157.65 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.646 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.78 146.86 35.59 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 44.0 pt -95.39 157.29 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -155.04 127.87 4.16 Favored Pre-proline 0 CA--C 1.555 1.17 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.45 147.99 33.02 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.9 -37.02 8.01 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.17 2.96 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.021 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -90.25 -3.11 58.01 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.284 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -165.69 72.26 0.17 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 61.3 m -96.29 150.12 20.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.089 0.471 . . . . 0.0 111.416 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.98 143.31 47.65 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 47.2 t -60.26 137.62 58.09 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -71.26 -30.84 66.79 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.773 -174.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.47 -66.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.313 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.2 p -81.17 -26.6 35.91 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.438 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.0 m 57.45 23.59 9.25 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.487 0.315 . . . . 0.0 111.652 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 71.1 m -115.15 -6.77 12.47 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.437 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.07 159.21 7.76 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 122.478 0.311 . . . . 0.0 110.343 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.13 149.98 47.15 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.326 2.017 . . . . 0.0 111.823 171.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.04 141.23 15.44 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 -17.74 18.93 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.672 2.248 . . . . 0.0 112.458 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -105.24 140.43 38.4 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.777 0.322 . . . . 0.0 110.7 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.34 132.76 54.96 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.375 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.8 128.27 44.32 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.5 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -0.17 57.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.91 152.04 41.63 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.65 -28.06 68.17 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.22 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.83 -41.78 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 120.66 0.266 . . . . 0.0 110.71 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.36 -83.04 0.46 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 -175.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.07 37.74 14.47 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.747 0.419 . . . . 0.0 111.151 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -140.89 176.48 8.77 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -91.47 150.07 21.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -147.96 146.86 29.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.5 m -81.38 177.17 9.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.222 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -56.93 -57.65 11.6 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.67 0.272 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.2 m -69.96 -33.39 72.04 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.712 0.292 . . . . 0.0 111.043 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.11 -38.74 79.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.011 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -65.13 -45.9 83.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.77 -44.15 86.01 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.811 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.12 -44.88 94.37 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.18 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.13 -48.77 69.74 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.239 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.87 -2.73 58.73 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.741 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 47.8 t -66.23 -31.77 72.79 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 62.5 mtt -59.37 134.47 57.03 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.77 146.88 53.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.972 0.415 . . . . 0.0 110.846 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.0 -17.11 59.96 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.404 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.2 mp -112.25 8.51 19.79 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 122.399 0.28 . . . . 0.0 111.109 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -68.08 -11.32 58.84 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -89.01 -2.34 58.53 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -74.48 162.26 28.99 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 35.7 p -148.73 138.98 13.13 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.809 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -85.03 122.4 2.55 Favored 'Trans proline' 0 C--N 1.359 1.111 0 C-N-CA 122.777 2.318 . . . . 0.0 112.553 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.2 149.77 33.63 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 56.4 mtt -133.69 150.36 51.53 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.879 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -80.41 163.0 24.17 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.43 144.17 57.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -72.74 160.23 32.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -154.24 161.51 41.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -72.26 -42.35 65.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -164.06 -58.17 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -165.07 155.34 13.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 14.4 p -79.44 -23.05 43.39 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.326 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.844 0 N-CA-C 112.356 -0.297 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -74.73 163.57 35.46 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.965 2.443 . . . . 0.0 112.234 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.73 131.43 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -164.78 164.34 21.13 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.2 tp -158.32 144.64 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 120.875 0.369 . . . . 0.0 110.712 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -84.34 138.9 38.79 Favored Pre-proline 0 CA--C 1.559 1.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.01 51.36 3.91 Favored 'Trans proline' 0 CA--C 1.553 1.474 0 C-N-CA 122.776 2.318 . . . . 0.0 112.7 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -83.86 -3.79 58.18 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.156 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.57 156.71 29.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -176.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 74.59 -56.52 0.63 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.633 0.773 . . . . 0.0 110.995 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -90.13 39.64 0.97 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.168 0.508 . . . . 0.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.5 t -100.18 132.92 45.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.74 143.02 57.19 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.908 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 33.0 t -59.34 131.21 50.29 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.27 -15.9 61.91 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.891 -172.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.73 -64.33 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 120.519 0.199 . . . . 0.0 110.987 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -87.92 -29.61 20.7 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.7 m 61.23 17.68 8.41 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.643 0.377 . . . . 0.0 111.727 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.4 t -104.86 -12.16 16.39 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.45 156.05 12.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.483 0.313 . . . . 0.0 110.297 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.79 138.26 28.59 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.378 2.052 . . . . 0.0 112.159 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.84 124.33 7.23 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.35 -13.41 20.7 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.632 2.221 . . . . 0.0 112.482 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -107.21 140.5 39.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -129.89 131.26 45.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.08 131.55 43.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -92.76 -8.38 43.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.833 -172.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.91 146.04 55.48 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.49 -25.35 68.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.218 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.43 -36.99 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-O 120.645 0.26 . . . . 0.0 110.913 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 90.4 m -105.91 -84.33 0.51 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.047 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.7 t80 60.3 41.49 16.35 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.003 0.43 . . . . 0.0 110.892 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -140.61 169.73 17.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.191 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.5 143.06 26.73 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.633 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -143.6 148.31 35.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 111.289 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.18 178.22 7.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.071 169.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -56.76 -51.9 67.07 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.698 0.285 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 20.2 m -72.22 -37.24 69.25 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.158 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 51.8 m -68.72 -36.38 78.35 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.001 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -65.98 -46.8 76.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.525 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.57 -42.04 82.3 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -66.69 -47.59 71.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.034 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -60.68 -43.92 97.12 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.176 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -93.63 6.62 47.66 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.56 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 14.6 t -70.85 -29.64 65.82 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.966 0.412 . . . . 0.0 110.63 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 19.3 mmt -59.17 141.05 55.19 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -61.55 137.36 58.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.89 -8.79 73.49 Favored Glycine 0 CA--C 1.541 1.712 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.19 8.84 20.02 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.943 0.372 . . . . 0.0 111.282 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.96 -10.43 58.56 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.57 0.224 . . . . 0.0 111.564 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -87.25 -4.1 59.07 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 122.299 0.239 . . . . 0.0 111.592 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -72.45 151.34 42.62 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.937 0.399 . . . . 0.0 111.122 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 33.0 p -149.03 151.91 35.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.98 161.34 33.02 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.229 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.73 169.38 6.47 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 121.044 0.45 . . . . 0.0 111.075 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 42.5 tpp -101.13 126.38 47.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -99.12 106.61 18.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.407 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -163.78 161.86 23.52 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 -177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.97 140.2 47.66 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.476 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -78.54 138.48 38.42 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -70.21 149.17 47.77 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.822 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -147.21 148.94 32.01 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.706 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 8.9 t70 75.64 -55.72 0.61 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 123.488 0.715 . . . . 0.0 111.203 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -14.29 60.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.708 0.29 . . . . 0.0 111.117 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.24 0.564 0 CA-C-O 120.844 0.354 . . . . 0.0 110.763 179.399 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.843 0 N-CA-C 112.376 -0.29 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.47 165.28 30.94 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.963 2.442 . . . . 0.0 112.289 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 128.71 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -87.41 149.09 24.69 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.827 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 8.9 tp -77.82 -24.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.77 152.26 41.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.541 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.46 149.54 80.24 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.586 2.191 . . . . 0.0 112.109 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.4 -8.59 59.62 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.479 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.67 158.17 15.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.573 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -122.51 150.57 42.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.514 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -80.07 64.04 4.77 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -67.5 138.39 56.52 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.83 138.07 57.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 46.4 t -63.46 126.72 28.41 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.92 -15.23 61.14 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.757 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.6 mm -85.91 -61.87 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.461 0.172 . . . . 0.0 111.02 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.1 -26.17 25.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.507 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 m 58.51 24.55 12.02 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.565 0.346 . . . . 0.0 111.577 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 61.6 m -122.64 -16.1 7.32 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -154.32 154.86 30.24 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 122.528 0.331 . . . . 0.0 110.235 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.34 139.74 29.43 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.377 2.051 . . . . 0.0 111.88 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.97 117.29 4.86 Favored Glycine 0 CA--C 1.544 1.86 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -71.13 -20.61 28.32 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.515 2.143 . . . . 0.0 112.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -98.87 143.78 28.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.815 0.34 . . . . 0.0 110.655 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -129.79 132.94 46.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.2 t -104.49 126.98 52.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.198 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -8.81 48.34 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.08 147.63 46.75 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.96 -26.65 68.33 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.198 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.36 -36.39 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 120.64 0.257 . . . . 0.0 110.861 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.4 m -107.0 -82.6 0.54 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.7 t80 58.51 40.54 23.77 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 120.922 0.392 . . . . 0.0 110.937 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -143.65 172.36 12.92 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.11 144.87 25.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -144.12 150.41 38.06 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.919 0.39 . . . . 0.0 111.295 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.6 m -89.6 173.86 8.08 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.953 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.28 -41.49 79.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 16.2 m -77.14 -39.52 48.95 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.775 0.322 . . . . 0.0 111.078 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.99 -34.39 75.22 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.022 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -66.19 -47.12 74.99 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.45 -43.9 88.99 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.775 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.74 -45.04 95.63 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.148 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -67.1 -47.71 70.37 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.247 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -89.06 2.33 54.23 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.73 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.9 m -68.78 -30.33 68.9 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.677 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.31 138.8 57.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.12 147.12 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.7 -13.52 67.26 Favored Glycine 0 CA--C 1.542 1.744 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.577 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.05 15.38 20.64 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.094 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.34 -17.34 64.71 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.497 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -86.63 -2.63 58.67 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -77.88 147.71 34.96 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 120.848 0.356 . . . . 0.0 111.024 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.8 p -148.96 149.2 29.53 Favored Pre-proline 0 CA--C 1.554 1.119 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.53 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -81.31 132.95 8.39 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.593 2.195 . . . . 0.0 112.314 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.9 mt -76.5 153.92 35.07 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.3 mmt -80.46 123.17 27.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -77.34 134.84 38.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.806 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -71.34 146.16 49.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -148.49 145.73 28.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.54 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.01 137.82 57.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -162.88 148.11 11.88 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.644 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -159.52 135.04 8.42 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.645 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.76 139.73 40.52 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.577 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.58 165.39 36.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 120.895 0.378 . . . . 0.0 110.969 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.476 0.866 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 179.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.681 0 N-CA-C 112.274 -0.33 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.51 69.93 6.48 Favored 'Trans proline' 0 CA--C 1.548 1.194 0 C-N-CA 122.893 2.396 . . . . 0.0 112.134 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 17.9 t 71.07 121.46 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 C-N-CA 123.382 0.673 . . . . 0.0 110.956 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.19 160.06 26.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.643 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.67 151.29 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.835 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -152.45 127.99 4.98 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -79.33 157.03 25.81 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.812 2.341 . . . . 0.0 112.451 -177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -81.53 -13.48 58.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.382 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 77.4 mt -141.82 125.48 16.88 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.242 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.15 -20.51 32.33 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.528 -176.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -96.67 10.32 38.99 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.082 0.468 . . . . 0.0 111.451 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 8.0 t -102.09 109.59 21.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.225 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -87.54 143.57 27.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.057 0.456 . . . . 0.0 111.358 -172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.99 144.9 48.06 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.957 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.74 -32.89 73.81 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.74 -175.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.87 -65.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.139 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 p -80.59 -33.95 35.58 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.361 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.5 m 63.97 8.56 4.0 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 122.775 0.43 . . . . 0.0 111.768 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 63.4 p -110.46 -11.45 14.49 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.311 0.244 . . . . 0.0 111.284 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -146.94 151.43 41.66 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.343 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.51 146.02 21.33 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.714 2.276 . . . . 0.0 112.307 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -109.4 137.49 14.24 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.34 -20.07 8.63 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.672 2.248 . . . . 0.0 112.779 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -97.91 139.94 33.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.21 135.29 53.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.6 t -106.24 130.53 54.09 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.42 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.88 -17.48 27.98 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.45 146.04 52.52 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.31 -25.82 67.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.207 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 11.5 t -63.84 -31.22 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.953 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 71.0 m -115.05 -80.74 0.6 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.01 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.3 52.46 8.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.008 0.432 . . . . 0.0 111.082 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -165.57 -179.95 5.72 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -89.7 151.72 21.71 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.0 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -146.25 144.32 29.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.8 m -76.62 168.85 19.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.082 170.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -57.79 -46.9 83.95 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.701 0.286 . . . . 0.0 111.097 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.9 p -70.65 -42.29 71.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.767 0.317 . . . . 0.0 111.071 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 85.0 m -66.44 -37.37 85.01 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -64.36 -48.14 76.66 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.647 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.23 -40.12 80.88 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.821 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -66.44 -46.57 76.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.137 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -47.86 70.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.756 0.313 . . . . 0.0 111.096 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -85.52 3.13 41.81 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.583 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.8 t -66.3 -31.96 73.08 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -57.33 137.33 56.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.73 139.16 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.39 -11.04 63.4 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.5 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.98 11.86 20.64 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -70.5 -12.44 61.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.51 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -86.24 -4.36 59.15 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 122.308 0.243 . . . . 0.0 111.649 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -74.34 156.53 37.01 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.87 0.366 . . . . 0.0 110.777 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 56.6 p -148.72 141.93 15.73 Favored Pre-proline 0 CA--C 1.554 1.133 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.825 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.59 120.67 3.2 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.789 2.326 . . . . 0.0 112.496 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.49 154.6 19.89 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 78.2 mtm -147.94 156.25 42.47 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.272 175.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -65.26 145.26 56.45 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.927 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -75.04 -28.97 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -126.63 135.33 51.05 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.275 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -64.77 142.44 58.43 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.895 0.379 . . . . 0.0 111.032 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.45 136.36 42.3 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -138.67 147.46 42.84 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -79.28 161.14 26.5 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 28.1 p -78.56 -16.72 57.11 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.443 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.034 0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.24 162.69 38.08 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.946 2.431 . . . . 0.0 112.286 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.96 156.68 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.653 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -86.38 162.13 18.33 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.39 174.68 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -127.97 156.97 75.27 Favored Pre-proline 0 CA--C 1.554 1.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.659 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.93 155.7 37.25 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -84.3 1.3 45.52 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.491 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -150.74 173.35 14.29 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.735 0.302 . . . . 0.0 111.046 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -134.13 158.7 42.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.29 70.28 10.11 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.083 0.468 . . . . 0.0 110.657 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 66.8 m -69.86 141.32 53.24 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.82 143.62 56.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 28.0 t -56.17 141.75 39.6 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.048 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -64.08 -36.95 85.7 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.76 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.2 -71.27 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -171.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.8 p -76.8 -35.8 57.37 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -172.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 19.8 m 64.08 12.0 6.63 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.747 0.419 . . . . 0.0 111.579 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 42.0 m -91.41 -8.64 47.32 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.649 0.261 . . . . 0.0 111.405 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.79 158.96 11.25 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 122.465 0.306 . . . . 0.0 110.36 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.56 149.18 55.12 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.404 2.07 . . . . 0.0 112.021 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.71 133.32 11.3 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.895 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 -14.35 17.86 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 122.569 2.179 . . . . 0.0 112.525 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -108.04 140.94 40.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.738 0.304 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -125.6 131.43 52.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.244 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.7 t -97.06 133.07 42.21 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -94.11 -4.66 48.89 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.99 149.68 43.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.67 -26.75 68.52 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.07 -36.56 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 120.621 0.248 . . . . 0.0 110.873 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.6 m -107.95 -78.73 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.101 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.7 t80 56.39 48.57 16.7 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.07 0.462 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -157.48 178.24 10.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -91.74 150.12 21.27 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -147.26 149.5 33.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -78.68 174.44 11.4 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.264 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -56.33 -56.9 15.34 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.742 0.306 . . . . 0.0 111.124 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.4 m -69.97 -33.65 72.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.136 -176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.08 -39.17 79.21 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -63.82 -46.74 83.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.653 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.32 -43.56 88.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.822 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -64.96 -44.29 89.89 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.977 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -64.19 -47.55 79.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -91.46 3.47 54.89 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.5 m -74.14 -29.85 62.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.63 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.76 137.03 56.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.25 135.24 57.67 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.765 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.61 -14.51 60.54 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.654 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.24 12.65 20.37 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.841 0.32 . . . . 0.0 111.17 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -70.12 -12.32 61.52 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.508 0.194 . . . . 0.0 111.452 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -91.3 2.95 56.01 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 122.428 0.291 . . . . 0.0 111.704 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -78.77 149.96 32.52 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -145.0 145.42 27.26 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.95 137.21 10.86 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.686 2.257 . . . . 0.0 112.161 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.33 158.38 35.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.154 0.502 . . . . 0.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 14.2 tpt -152.11 147.21 26.19 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.52 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.14 129.62 40.72 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.672 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -78.45 129.04 34.45 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -90.19 92.5 8.97 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -70.13 -39.83 75.19 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -77.48 140.7 39.85 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.42 -42.05 88.31 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -156.4 152.77 27.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 37.9 m -160.95 161.55 31.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.925 0.393 . . . . 0.0 110.688 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 121.014 0.435 . . . . 0.0 110.934 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.893 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.57 161.55 39.59 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.921 2.414 . . . . 0.0 112.264 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.9 m -79.49 152.95 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -161.84 166.62 26.09 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 7.9 tp -107.08 135.34 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.291 173.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -104.65 150.29 38.41 Favored Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.703 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.13 -17.97 13.1 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.74 2.293 . . . . 0.0 112.675 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 60.56 22.28 12.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.747 0.419 . . . . 0.0 111.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 32.6 tp -79.42 125.84 30.06 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.579 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -164.52 -35.16 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -156.76 46.38 0.42 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.225 0.536 . . . . 0.0 110.363 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 61.8 m -78.59 147.86 33.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.331 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.93 139.91 57.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.89 117.52 13.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 174.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -70.56 -23.33 62.59 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.706 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.62 -56.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-O 120.678 0.275 . . . . 0.0 110.814 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 p -91.5 -33.59 15.13 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.36 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.36 17.84 10.76 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 122.7 0.4 . . . . 0.0 111.473 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.3 p -113.2 -16.96 12.46 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -166.98 156.2 9.62 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 120.508 0.194 . . . . 0.0 110.815 -174.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.92 150.43 34.33 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.635 2.223 . . . . 0.0 112.062 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.86 132.65 11.37 Favored Glycine 0 CA--C 1.546 2.017 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.19 -21.55 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.74 2.293 . . . . 0.0 112.58 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.98 139.92 31.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -113.96 134.91 54.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.7 t -101.1 129.57 47.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -93.52 -5.97 47.85 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.63 149.99 43.43 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -64.25 -26.94 68.73 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.235 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 31.6 t -65.39 -36.81 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.656 0.265 . . . . 0.0 110.915 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.79 -76.08 0.62 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.4 t80 56.54 47.34 18.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.779 0.432 . . . . 0.0 111.128 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -162.12 -179.97 7.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -90.59 152.2 20.99 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.37 152.53 38.33 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.676 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.5 m -81.67 173.4 12.37 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.34 -51.08 71.33 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.702 0.286 . . . . 0.0 111.157 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.6 m -70.7 -36.74 73.42 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 47.5 m -69.68 -39.08 77.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -63.25 -46.54 86.39 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.628 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -56.72 -46.06 81.52 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.3 -45.12 92.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.09 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -65.86 -46.85 76.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.37 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -91.48 -3.41 56.62 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 9.2 m -66.87 -31.79 72.62 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.2 mmt -58.01 136.0 57.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.71 137.91 58.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.675 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.53 -18.58 53.09 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.596 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.28 7.32 19.31 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.861 0.331 . . . . 0.0 111.239 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.93 -4.6 33.13 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -92.92 1.04 57.5 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 122.415 0.286 . . . . 0.0 111.502 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -78.15 162.72 26.42 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 24.5 t -148.77 135.92 10.7 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.96 120.54 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.597 -176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.24 156.88 17.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.4 ptp -97.43 152.22 19.17 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.772 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -70.25 146.23 50.8 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.651 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.9 146.22 54.99 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.258 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -152.69 136.55 16.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.239 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -147.17 13.94 1.12 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -157.21 159.27 37.52 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.648 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -152.7 144.26 23.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.39 152.33 45.07 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 19.5 p -83.68 155.68 23.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.017 0.437 . . . . 0.0 110.897 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.876 0 N-CA-C 112.387 -0.285 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.43 163.29 36.52 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.887 2.392 . . . . 0.0 112.259 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 10.3 p -160.44 152.32 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -153.54 154.27 33.97 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 54.9 mt 72.61 -56.94 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 123.436 0.694 . . . . 0.0 110.955 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -78.33 126.81 82.64 Favored Pre-proline 0 CA--C 1.557 1.241 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.534 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.62 141.75 22.45 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.574 2.182 . . . . 0.0 112.249 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -86.83 -3.19 59.04 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.369 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.43 -49.29 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.891 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 70.55 164.91 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 123.102 0.561 . . . . 0.0 111.109 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.69 121.13 11.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 46.7 t -100.14 134.52 42.95 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.036 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.79 140.77 34.02 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.226 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.23 122.94 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.748 0.309 . . . . 0.0 110.733 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -69.69 -24.21 63.55 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.741 -172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.0 mm -81.41 -64.26 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.118 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.18 -29.69 21.57 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.5 m 62.11 20.17 11.43 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.654 0.382 . . . . 0.0 111.399 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.7 m -97.61 -23.22 16.08 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -170.82 156.65 5.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.584 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.18 143.75 40.49 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.527 2.152 . . . . 0.0 111.892 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -95.25 156.0 21.57 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.317 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.9 -26.14 6.96 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.843 2.362 . . . . 0.0 112.597 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -91.42 140.02 30.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.729 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -122.74 133.11 54.49 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.493 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.1 t -104.37 123.21 47.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.578 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -84.22 -12.83 54.15 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.51 146.77 47.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.694 0.283 . . . . 0.0 110.97 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.53 -23.38 67.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.96 -34.96 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 120.661 0.267 . . . . 0.0 110.705 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.17 -83.98 0.55 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -175.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 61.74 36.88 16.1 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.856 0.462 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -141.69 172.62 12.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -90.11 157.23 17.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -149.43 147.26 28.04 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.961 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -73.41 168.26 19.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.298 171.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -57.78 -47.22 83.16 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.204 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -73.33 -40.54 64.38 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.791 0.329 . . . . 0.0 111.04 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.27 -37.83 86.39 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.08 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -63.0 -47.54 82.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.64 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -57.61 -41.32 81.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.857 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -68.37 -45.76 71.88 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -40.68 92.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.289 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -92.79 2.61 56.66 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.554 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -31.28 70.45 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.95 0.405 . . . . 0.0 110.642 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 20.3 mmt -57.5 138.99 54.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.4 142.24 58.49 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.63 -14.77 63.76 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.1 11.96 20.48 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -67.98 -13.58 62.29 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.475 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -88.25 -2.46 58.62 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -75.39 143.77 42.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.2 m -146.02 143.89 20.53 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.73 136.04 8.17 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.7 2.266 . . . . 0.0 112.262 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.1 145.1 42.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.09 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 13.5 tpt -84.82 120.29 26.28 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.413 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -131.31 138.22 49.14 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -162.27 145.49 11.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.699 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -93.08 129.81 38.92 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -89.19 -29.57 19.2 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.09 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.44 171.99 13.28 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -67.07 -26.78 66.9 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.151 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -154.1 163.71 39.66 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 60.7 m -103.44 143.27 32.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 121.002 0.429 . . . . 0.0 110.9 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.895 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -74.98 162.19 37.59 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.974 2.45 . . . . 0.0 112.328 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.09 153.8 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -140.25 149.81 43.32 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.2 pt -82.57 -11.17 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -153.97 128.02 4.53 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.241 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.59 154.96 40.15 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.726 2.284 . . . . 0.0 112.455 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -80.37 -9.05 59.74 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.349 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.23 150.17 33.5 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.93 0.395 . . . . 0.0 110.895 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -138.1 173.43 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.256 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -78.7 66.85 4.3 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.16 0.505 . . . . 0.0 110.882 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 8.7 t -70.84 136.9 49.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.003 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.95 143.1 54.51 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.95 125.76 25.47 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.2 -33.62 75.76 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.768 -173.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.2 mm -73.12 -58.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.185 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.8 p -91.54 -24.78 19.51 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.5 m 59.43 25.12 13.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 122.555 0.342 . . . . 0.0 111.284 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.0 t -98.39 -39.6 8.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.241 -176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -172.09 157.66 4.09 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.402 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.13 134.78 37.96 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.442 2.095 . . . . 0.0 111.798 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -79.57 156.47 40.89 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.224 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.32 -22.04 11.31 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.858 2.372 . . . . 0.0 112.511 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -98.91 139.53 34.44 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.558 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -118.13 131.34 56.42 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.383 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 40.8 t -97.07 123.95 40.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.53 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 2.46 56.62 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.64 151.4 43.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -65.45 -28.02 68.93 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.26 -41.29 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 120.59 0.233 . . . . 0.0 110.818 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 86.9 m -101.08 -79.21 0.51 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.183 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 58.53 48.06 12.52 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.143 0.497 . . . . 0.0 110.775 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -157.67 172.22 18.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -91.26 153.45 19.96 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.3 147.01 28.83 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.99 174.3 10.79 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 174.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.56 -48.1 75.32 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.668 0.27 . . . . 0.0 111.196 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.1 p -74.5 -40.89 61.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.692 0.282 . . . . 0.0 111.077 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.11 -35.87 81.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -66.3 -46.06 78.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -58.41 -43.23 88.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -65.61 -45.9 81.36 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.115 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -62.01 -45.16 94.85 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -94.44 1.8 55.77 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -171.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 34.1 t -69.01 -32.07 71.34 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 58.2 ttm -58.63 135.74 57.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.72 137.87 57.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.761 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.24 59.69 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.646 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.3 mp -112.23 6.72 19.14 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 116.81 0.305 . . . . 0.0 111.256 177.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -71.0 -8.23 51.84 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -89.06 -3.33 58.71 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -72.38 158.31 36.01 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.999 0.428 . . . . 0.0 111.097 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 52.8 p -148.9 144.15 17.87 Favored Pre-proline 0 CA--C 1.553 1.063 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.41 135.08 6.95 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.823 2.349 . . . . 0.0 112.315 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.83 156.34 39.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 111.181 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.61 155.17 27.0 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.817 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.88 150.16 48.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -66.63 -28.57 68.59 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -153.72 143.29 21.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.337 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.02 146.18 25.61 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.936 0.398 . . . . 0.0 110.886 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -72.76 159.12 34.31 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.42 148.16 45.46 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.71 -28.23 45.06 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 15.8 t -156.09 152.1 27.58 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.25 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -177.264 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.906 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.83 163.22 36.04 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.953 2.435 . . . . 0.0 112.378 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.75 140.83 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.63 147.58 27.49 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.21 138.47 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.422 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.43 149.81 97.13 Favored Pre-proline 0 CA--C 1.552 1.025 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.78 -30.24 68.76 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.631 2.221 . . . . 0.0 112.429 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -68.47 -18.92 64.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.57 0.62 20.9 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.18 -43.07 10.67 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -160.88 96.17 1.11 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.597 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 4.2 t -100.34 135.24 42.08 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.26 136.73 42.67 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.375 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.57 125.72 24.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.58 -26.84 64.66 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.695 -173.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 29.7 mm -77.11 -63.94 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.057 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.92 -27.15 26.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.515 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.1 m 58.31 21.43 8.25 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.58 0.352 . . . . 0.0 111.656 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.5 m -116.61 -9.17 11.4 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.521 -175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.88 158.51 7.84 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 122.334 0.253 . . . . 0.0 110.552 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.61 155.9 44.83 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.13 . . . . 0.0 111.832 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.64 144.46 16.42 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 -21.9 12.64 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.748 2.298 . . . . 0.0 112.539 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -102.4 139.44 38.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 110.753 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -117.23 136.51 53.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.02 127.83 43.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -91.37 3.26 55.35 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.101 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.8 150.82 32.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 111.052 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -60.92 -29.31 69.52 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.09 -37.1 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.081 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.4 m -104.6 -80.0 0.54 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.517 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.2 57.98 6.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.623 -171.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . 0.408 ' HD3' ' H ' ' A' ' 535' ' ' TYR . 16.8 tppt? -158.13 154.6 27.72 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.912 -173.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . 0.408 ' H ' ' HD3' ' A' ' 534' ' ' LYS . 3.3 m-30 -81.42 144.97 31.03 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -144.57 146.96 32.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.853 0.359 . . . . 0.0 111.116 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.15 171.25 14.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.224 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -48.17 82.67 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 120.771 0.32 . . . . 0.0 111.047 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -40.93 72.14 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.59 -38.71 87.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.017 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -62.62 -46.08 89.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.694 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -58.51 -46.03 87.55 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.23 -42.47 98.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -47.31 62.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -91.13 -8.28 49.21 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 40.7 t -62.85 -32.59 73.86 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.633 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 60.5 mtt -57.46 134.59 56.2 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.33 144.59 50.25 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 97.89 -21.7 44.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.484 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.34 7.1 19.13 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.818 0.309 . . . . 0.0 111.26 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.19 -4.3 28.51 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -175.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -93.09 1.72 57.08 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 122.391 0.276 . . . . 0.0 111.483 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -77.76 158.38 29.61 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 13.1 m -143.52 140.66 17.75 Favored Pre-proline 0 N--CA 1.481 1.109 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.47 128.03 6.01 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.805 2.337 . . . . 0.0 112.071 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.89 152.13 40.27 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.272 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.5 mmt -129.55 138.31 51.25 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.532 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -78.14 150.98 33.53 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -81.97 140.72 33.83 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -76.29 -31.6 58.33 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.786 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -90.31 144.56 25.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.891 0.376 . . . . 0.0 110.789 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -82.92 159.23 22.35 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -75.43 146.41 40.75 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.419 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -153.53 146.47 24.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 9.3 t -164.56 164.48 21.68 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.641 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 59.0 p . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 179.172 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.885 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -73.87 159.75 44.54 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.916 2.41 . . . . 0.0 112.331 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 14.9 p -162.28 148.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -138.35 144.72 40.46 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 44.4 pt -80.82 -17.67 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.087 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -157.47 78.62 3.6 Favored Pre-proline 0 CA--C 1.555 1.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.74 159.52 42.11 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.8 2.333 . . . . 0.0 112.277 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -81.19 -8.32 59.73 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.53 147.41 25.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.67 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -103.65 151.97 22.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.95 48.56 1.37 Allowed 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 70.7 m -79.91 127.27 32.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.86 143.73 50.95 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 26.2 t -57.24 138.85 54.2 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.812 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.06 -32.27 73.63 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 42.6 mm -82.79 -64.3 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.223 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.61 -29.74 27.49 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.531 -172.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 36.6 m 59.3 18.51 6.73 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 122.518 0.327 . . . . 0.0 111.7 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 66.3 m -113.01 -5.76 13.77 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 120.586 0.231 . . . . 0.0 111.366 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.85 155.1 10.73 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 122.496 0.319 . . . . 0.0 110.238 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.13 137.46 23.86 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.53 2.153 . . . . 0.0 112.08 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -90.75 127.99 9.08 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.65 -23.44 14.6 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.598 2.199 . . . . 0.0 112.701 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -93.13 143.63 26.06 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.796 0.332 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -127.88 131.42 49.43 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.2 131.03 44.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -90.11 -2.38 58.08 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.48 149.03 40.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.61 -23.91 66.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.401 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.68 -37.05 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 120.698 0.285 . . . . 0.0 110.779 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.42 -84.41 0.5 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 1.7 t80 60.1 35.06 21.28 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.743 0.417 . . . . 0.0 111.255 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -140.86 176.84 8.47 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -88.23 146.73 25.19 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -145.16 150.85 37.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.0 m -85.52 175.84 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.204 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -58.97 -53.93 52.86 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.1 m -71.57 -33.88 69.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.39 -40.33 77.43 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.877 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -61.95 -45.84 91.9 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.625 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -57.47 -45.92 84.27 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.787 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.93 -45.04 95.44 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.096 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.59 78.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.148 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -90.02 -4.57 57.34 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -171.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.8 -32.55 74.14 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.812 0.339 . . . . 0.0 110.598 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.2 mmt -57.66 136.1 56.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.18 143.35 55.71 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.14 -15.68 62.49 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.598 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.07 14.71 20.75 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -69.35 -13.22 62.26 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.485 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -88.62 1.66 54.59 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 122.341 0.256 . . . . 0.0 111.665 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -79.92 147.28 31.71 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 120.879 0.371 . . . . 0.0 111.201 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 81.1 p -149.15 150.13 31.24 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.56 160.91 16.91 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.923 2.415 . . . . 0.0 112.082 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.55 156.76 39.05 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.686 176.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 78.3 mtm -145.89 140.7 27.19 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.676 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 -86.59 131.67 34.1 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.616 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.86 146.12 33.82 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.663 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -67.58 147.55 52.6 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 63.1 mttp 59.8 19.3 8.13 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.796 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -74.0 131.43 41.38 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 120.669 0.271 . . . . 0.0 110.726 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -117.51 -47.12 2.65 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -91.98 138.28 31.67 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 40.4 m -75.18 -22.03 58.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.219 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 179.323 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.854 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.79 165.26 31.87 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.95 2.433 . . . . 0.0 112.296 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.48 149.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.58 -37.51 56.4 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 37.3 mm -125.46 140.68 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.543 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -151.99 147.77 20.41 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.636 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -76.54 145.42 26.36 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.68 2.253 . . . . 0.0 112.257 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -84.52 -3.84 58.63 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.331 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.69 119.48 17.98 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.48 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -94.11 -50.63 5.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -161.35 96.77 1.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 75.1 m -100.09 150.15 22.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.087 0.47 . . . . 0.0 111.212 -175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.09 143.06 50.77 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.494 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 48.4 t -63.71 133.0 52.78 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -71.43 -28.43 63.97 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.649 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.26 -65.6 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.032 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.5 p -81.69 -29.42 33.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.496 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.4 m 59.42 25.86 14.67 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.587 0.355 . . . . 0.0 111.422 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.8 p -132.4 -0.59 3.6 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.524 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -160.48 140.59 8.43 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.42 136.45 23.96 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.398 2.065 . . . . 0.0 111.834 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.71 128.6 8.99 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.087 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.38 -15.8 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 176.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -104.44 144.88 31.06 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-O 120.736 0.303 . . . . 0.0 110.704 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -130.42 132.44 45.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.141 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 125.93 42.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -88.01 -0.4 56.97 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.32 151.66 39.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.04 -24.62 66.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.94 -37.42 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.618 0.247 . . . . 0.0 110.683 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 76.3 m -105.88 -83.16 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.076 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.4 t80 59.89 39.2 20.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -140.15 171.59 13.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -90.17 145.25 25.17 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.665 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -144.91 146.02 31.82 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.274 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -81.32 175.53 10.51 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.141 169.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.16 -51.72 68.53 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 15.4 m -71.62 -35.05 70.33 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.778 0.323 . . . . 0.0 111.064 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.2 m -70.54 -35.7 73.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.59 -44.72 85.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.496 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -58.15 -41.77 84.46 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.909 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -68.0 -47.4 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.955 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -57.39 -43.06 83.32 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.175 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -98.01 11.97 35.81 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.393 -175.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -69.02 -33.93 74.42 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 64.6 mtt -66.61 145.27 55.78 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.83 156.32 36.6 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.25 -13.42 67.66 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.155 -175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.11 18.64 19.19 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.745 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -62.97 -20.52 65.34 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.529 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -88.49 3.55 49.79 Favored 'General case' 0 CA--C 1.566 1.583 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.798 -175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -81.32 142.08 33.41 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.901 0.382 . . . . 0.0 111.096 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 49.5 m -148.37 148.29 28.36 Favored Pre-proline 0 N--CA 1.476 0.826 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.05 159.45 30.44 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.641 2.227 . . . . 0.0 112.013 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.06 30.86 0.57 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.148 0.499 . . . . 0.0 111.261 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 49.2 tpp -80.47 127.02 31.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.6 118.29 29.93 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 58.32 -159.94 0.27 Allowed 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -144.61 -8.65 0.65 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.265 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -72.44 162.02 30.03 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.46 134.43 48.93 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.226 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 54.05 70.54 0.59 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.012 0.434 . . . . 0.0 110.731 -176.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.63 -12.68 61.67 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.359 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 24.2 p -79.61 1.74 25.02 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 122.403 0.281 . . . . 0.0 111.445 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.141 0.496 . . . . 0.0 111.054 179.435 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.902 0 N-CA-C 112.382 -0.287 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.75 164.67 33.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.931 2.421 . . . . 0.0 112.26 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 13.4 p -69.98 143.79 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -154.65 123.99 6.43 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.34 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.5 pt -91.34 -18.26 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.364 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -160.5 136.6 6.19 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.444 0.298 . . . . 0.0 110.452 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.11 130.08 16.03 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.65 2.233 . . . . 0.0 112.075 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -83.34 -11.37 57.75 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.529 -176.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 66.5 mt 51.89 -135.26 1.51 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.708 0.403 . . . . 0.0 110.829 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -160.69 162.12 32.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.98 73.33 9.13 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.994 0.426 . . . . 0.0 110.725 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 71.5 m -69.19 137.37 53.21 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.89 143.59 56.76 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.58 143.7 34.7 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.172 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -67.79 -38.04 82.83 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.726 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.58 -67.56 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.094 -172.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.9 p -84.48 -38.76 19.71 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.397 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 17.3 m 62.01 19.39 10.74 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 122.654 0.382 . . . . 0.0 111.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 14.9 m -97.37 -4.22 38.85 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.669 0.271 . . . . 0.0 111.156 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -167.28 145.03 3.97 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.183 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.04 140.09 87.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.478 2.119 . . . . 0.0 112.11 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.48 126.97 8.67 Favored Glycine 0 CA--C 1.546 1.993 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.54 -20.7 23.24 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.579 2.186 . . . . 0.0 112.439 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -101.64 142.04 33.58 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -126.4 130.56 50.96 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 43.0 t -97.11 129.91 44.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -3.33 56.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.76 145.63 46.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -64.06 -22.84 67.1 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 33.7 t -68.11 -38.19 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 120.667 0.27 . . . . 0.0 110.774 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.7 m -105.65 -78.57 0.57 Allowed 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.936 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.5 t80 57.5 48.47 14.43 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 122.78 0.432 . . . . 0.0 111.097 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -158.81 177.84 10.74 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.95 149.23 21.96 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.52 149.71 34.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 9.8 m -80.74 173.79 12.26 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.22 170.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -59.75 -47.81 84.2 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -72.88 -39.75 66.16 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.7 0.286 . . . . 0.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.7 m -67.18 -35.42 79.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.01 -46.88 79.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.64 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.06 -41.27 83.01 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.879 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.93 -47.3 72.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.965 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.5 -44.75 93.04 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.263 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -94.03 9.42 37.7 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.487 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 20.6 t -73.0 -31.81 64.74 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.54 139.0 57.52 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.89 140.55 58.88 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.66 -10.65 68.7 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.599 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.08 11.1 20.42 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 116.844 0.322 . . . . 0.0 111.036 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.41 -15.2 63.54 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.582 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -85.9 -3.61 58.96 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -73.03 147.65 44.87 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.5 m -144.81 145.76 29.08 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.479 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.81 141.07 13.27 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.741 2.294 . . . . 0.0 112.225 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.47 165.48 25.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 111.488 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 11.3 tpt -133.01 162.93 30.38 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.469 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -54.67 134.79 47.28 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.806 0.336 . . . . 0.0 110.926 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -70.87 -47.27 60.14 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -175.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -77.49 138.36 39.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -134.88 -14.43 2.11 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -91.75 155.43 18.27 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.787 0.327 . . . . 0.0 110.784 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -158.73 133.22 8.02 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.567 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.03 -48.67 20.04 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 10.9 t -163.88 157.18 18.45 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.852 0.358 . . . . 0.0 110.689 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.974 0.416 . . . . 0.0 110.797 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.863 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.4 165.75 30.1 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.939 2.426 . . . . 0.0 112.268 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 83.9 t -74.66 128.72 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -141.53 162.84 34.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.62 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.7 pt -116.7 167.98 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -143.88 149.01 44.69 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.795 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.37 162.95 33.02 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.91 2.407 . . . . 0.0 112.363 -178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -75.96 -7.7 55.22 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.497 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.84 131.49 24.06 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.331 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.06 2.38 55.28 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -87.78 -164.04 1.04 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -177.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 47.8 m -63.89 150.17 45.51 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.363 0.602 . . . . 0.0 112.075 -170.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.31 143.63 44.88 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.659 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.5 t -58.53 137.21 57.55 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.794 0.331 . . . . 0.0 110.841 177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.78 -33.36 64.2 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.709 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.2 -67.85 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.229 -172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.48 -28.19 46.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 42.6 m 57.03 24.82 10.0 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 122.49 0.316 . . . . 0.0 111.518 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.0 m -119.04 -6.56 10.46 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.413 -175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -168.02 160.24 9.47 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 122.463 0.305 . . . . 0.0 110.387 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.66 153.57 76.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.571 2.181 . . . . 0.0 112.374 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -100.28 109.46 3.71 Favored Glycine 0 CA--C 1.546 1.975 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.03 -15.72 47.54 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 122.604 2.203 . . . . 0.0 112.588 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -110.14 144.75 38.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.859 0.361 . . . . 0.0 110.717 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -130.27 133.16 46.29 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.097 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.17 130.05 44.46 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -90.72 -1.45 57.86 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.34 151.65 41.19 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.846 0.355 . . . . 0.0 111.084 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -31.08 70.99 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.216 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.81 -40.96 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.863 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.5 m -98.51 -86.26 0.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.925 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.6 t80 62.72 37.98 12.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.789 0.436 . . . . 0.0 111.093 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -141.22 177.35 8.15 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.068 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -92.85 143.5 26.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.4 150.85 38.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.176 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 14.8 m -87.43 176.8 7.33 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.11 -44.83 92.01 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.127 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.8 p -73.79 -42.02 61.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.67 -35.16 79.98 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -65.18 -46.15 81.98 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.65 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -58.5 -40.93 84.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.925 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -67.73 -47.36 69.54 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.059 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.86 -43.79 90.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.288 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -96.03 11.42 34.13 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.473 -174.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -73.49 -32.31 64.21 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.842 0.353 . . . . 0.0 110.709 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -62.82 141.0 58.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.71 143.84 57.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.19 -11.23 69.36 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.626 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mp -112.11 13.25 20.6 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.707 0.289 . . . . 0.0 110.994 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -68.4 -14.66 63.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.586 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -87.99 1.89 53.08 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 122.341 0.256 . . . . 0.0 111.69 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -78.86 150.51 32.2 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.915 0.388 . . . . 0.0 111.144 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 80.1 p -149.1 149.77 30.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.12 160.88 20.57 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.814 2.343 . . . . 0.0 112.215 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.2 32.91 0.44 Allowed 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.086 0.469 . . . . 0.0 111.244 178.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.56 126.94 29.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.744 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -86.44 135.22 33.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -69.16 -32.72 72.24 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 58.32 45.49 16.92 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.044 0.45 . . . . 0.0 110.998 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.44 139.3 58.75 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.62 159.93 33.56 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.046 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -70.84 134.74 47.58 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.492 175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.59 -45.31 9.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 97.5 p -168.49 175.96 6.0 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.478 0.957 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.67 177.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.903 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.38 161.89 39.36 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.014 2.476 . . . . 0.0 112.269 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.2 t -136.63 126.33 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -81.46 -37.87 27.3 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.3 tt -162.27 149.79 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.499 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -138.07 113.62 9.01 Favored Pre-proline 0 CA--C 1.554 1.123 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.62 -8.45 14.76 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.794 2.329 . . . . 0.0 112.668 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 66.24 9.5 6.4 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.602 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 88.8 mt -138.56 137.34 36.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.553 0.341 . . . . 0.0 110.42 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -166.61 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.588 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.0 45.85 1.13 Allowed 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 41.1 m -88.93 121.45 31.3 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.506 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.86 142.67 57.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.896 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.29 124.52 22.43 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.266 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -69.72 -17.51 63.46 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.792 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.82 -58.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 120.564 0.221 . . . . 0.0 110.853 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.56 -31.94 13.67 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.607 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.3 m 63.62 14.25 7.97 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 122.933 0.493 . . . . 0.0 111.796 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.5 p -105.34 -11.22 16.57 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 120.609 0.242 . . . . 0.0 111.497 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -168.21 156.46 8.05 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.45 -174.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -75.38 144.65 29.27 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.525 2.15 . . . . 0.0 112.178 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -94.55 121.09 6.62 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.09 -23.51 12.0 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.607 2.205 . . . . 0.0 112.708 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.18 143.68 26.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.712 0.292 . . . . 0.0 110.782 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -125.36 132.72 52.76 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 53.8 t -97.17 134.97 39.79 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.565 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -94.69 -4.13 48.07 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.41 148.56 39.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.751 0.31 . . . . 0.0 110.797 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.6 -23.03 66.73 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.468 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.34 -36.16 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 120.646 0.26 . . . . 0.0 110.808 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.35 -76.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.117 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.5 t80 53.15 49.23 20.43 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 121.005 0.431 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 176.53 12.06 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.079 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -87.72 148.4 24.77 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -146.35 151.37 37.38 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.7 m -86.25 171.8 10.97 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.979 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -57.86 -45.97 85.51 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.686 0.279 . . . . 0.0 110.954 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 9.7 p -69.99 -44.25 69.78 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 42.3 m -65.61 -36.23 83.11 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.059 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -64.61 -49.16 72.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.632 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.55 -42.0 91.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.73 177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -63.22 -43.02 99.26 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.168 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -73.68 -47.65 38.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.695 0.283 . . . . 0.0 111.553 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.16 -11.06 53.57 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -169.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.7 t -67.73 -30.84 70.42 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -52.66 133.94 36.18 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.37 133.57 55.85 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.88 -19.72 48.55 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.493 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.41 5.65 18.24 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 116.899 0.35 . . . . 0.0 111.355 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -70.52 -4.58 23.6 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -93.94 0.15 55.92 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 122.421 0.288 . . . . 0.0 111.624 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -76.27 154.27 35.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.931 0.396 . . . . 0.0 111.201 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 78.1 p -149.08 150.32 31.87 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -80.81 161.02 21.45 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.707 2.272 . . . . 0.0 112.042 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.8 169.57 16.73 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -137.18 145.41 43.7 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -77.81 140.86 39.45 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.631 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -152.68 124.36 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -144.92 146.52 32.03 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.43 -13.12 55.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -60.34 132.68 54.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 110.797 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.6 mmt-85 -78.39 153.16 31.82 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -75.24 -32.83 61.24 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 21.7 p -85.99 156.51 20.42 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.955 0.407 . . . . 0.0 110.987 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 121.051 0.453 . . . . 0.0 110.878 -179.707 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.859 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.87 164.24 33.91 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 122.973 2.448 . . . . 0.0 112.323 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.56 152.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -82.13 117.32 22.2 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 8.7 tp -163.45 151.38 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.502 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.02 144.77 90.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.679 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.17 -15.98 28.55 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.691 2.261 . . . . 0.0 112.538 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -86.45 -2.63 58.61 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.327 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.04 168.51 15.22 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -158.72 158.06 32.96 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.315 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.08 53.15 1.38 Allowed 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.176 0.513 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 67.8 m -82.43 122.85 28.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.993 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.96 143.1 39.71 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.52 117.29 10.08 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.404 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -71.72 -15.07 62.19 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.885 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 38.2 mm -76.35 -57.42 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-O 120.608 0.242 . . . . 0.0 110.797 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.35 -29.18 17.25 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.456 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.2 m 61.34 23.6 13.82 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.748 0.419 . . . . 0.0 111.601 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.7 p -120.3 -25.76 5.59 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -152.02 154.29 32.41 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 122.405 0.282 . . . . 0.0 110.48 -175.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.64 144.82 28.65 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.74 131.4 10.53 Favored Glycine 0 CA--C 1.546 2.025 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.029 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.52 -23.18 8.72 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.738 2.292 . . . . 0.0 112.537 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -97.81 140.87 31.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.658 0.266 . . . . 0.0 110.661 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -117.45 135.25 54.04 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.61 126.86 47.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.427 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -3.62 57.12 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -173.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -71.57 148.58 46.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.02 -23.56 66.58 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.367 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 43.4 t -68.35 -40.14 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 120.637 0.256 . . . . 0.0 110.742 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.88 -76.14 0.6 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.8 t80 55.76 49.02 17.05 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.941 0.401 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.15 176.76 11.57 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -94.14 147.75 22.86 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -146.51 147.48 31.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.943 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.03 176.26 9.9 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.275 171.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.88 -52.45 65.45 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.674 0.273 . . . . 0.0 111.186 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.5 m -70.83 -35.91 72.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.55 -36.58 76.47 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -65.27 -46.12 81.75 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.497 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -57.22 -45.34 83.95 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.803 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.48 -44.94 92.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.04 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -63.17 -43.93 96.87 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.318 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -95.87 5.02 52.28 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -171.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.5 m -69.0 -31.1 69.68 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.829 0.347 . . . . 0.0 110.7 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.1 ttt -58.02 131.38 50.3 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.08 138.05 58.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.83 58.42 Favored Glycine 0 CA--C 1.537 1.465 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.403 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.14 10.2 20.23 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -68.68 -12.16 61.06 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -87.68 -1.99 58.32 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -76.32 154.74 34.8 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 51.0 m -143.24 139.25 16.41 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.635 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.0 120.73 3.44 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.74 2.293 . . . . 0.0 112.451 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.0 mt -78.34 150.0 33.33 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 173.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 54.5 mtt -138.01 146.16 42.75 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.879 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -73.46 152.73 40.64 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -76.94 -31.08 56.38 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -81.34 116.91 21.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.43 -29.97 61.72 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -159.14 157.81 31.64 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.771 0.319 . . . . 0.0 110.656 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -63.96 -22.09 66.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.9 -32.01 72.36 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.599 0.238 . . . . 0.0 111.429 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 63.2 p -97.05 7.95 45.54 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.575 0.226 . . . . 0.0 111.386 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.042 0.449 . . . . 0.0 110.795 178.38 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.95 0 N-CA-C 112.357 -0.297 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.73 163.14 36.38 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.86 2.373 . . . . 0.0 112.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.12 126.02 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.416 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -142.42 153.85 44.08 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.453 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.1 tt -159.35 149.64 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -155.87 130.75 5.14 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.16 124.63 9.18 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.588 2.192 . . . . 0.0 112.124 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -92.43 -1.88 56.69 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.33 127.08 32.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.741 0.305 . . . . 0.0 110.644 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.54 12.64 34.57 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.784 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -87.89 -161.74 0.75 Allowed 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -176.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 62.7 m -63.44 147.1 52.18 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.346 0.593 . . . . 0.0 111.746 -170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.9 143.33 34.36 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.66 118.28 10.72 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.332 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -73.47 -19.04 61.05 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.739 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 33.8 mm -71.39 -59.51 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.618 0.247 . . . . 0.0 110.84 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.78 -27.66 18.75 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.448 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 50.5 m 58.72 22.44 10.0 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.716 0.406 . . . . 0.0 111.528 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.8 m -117.86 -10.58 10.43 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.594 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -169.26 156.11 6.52 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 122.315 0.246 . . . . 0.0 110.486 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.63 140.27 35.64 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.605 2.203 . . . . 0.0 112.09 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -87.08 119.06 5.11 Favored Glycine 0 CA--C 1.546 1.998 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -64.54 -23.46 64.24 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.537 2.158 . . . . 0.0 112.713 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -102.62 146.47 28.13 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -129.64 130.49 45.66 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.108 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 48.5 t -97.01 116.61 29.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.485 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 10.48 17.86 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.917 -173.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.69 147.04 44.02 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.451 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -21.85 66.87 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.569 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.1 t -71.65 -36.35 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-O 120.691 0.282 . . . . 0.0 110.873 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 97.2 m -104.33 -82.31 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.051 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.6 t80 58.57 46.81 14.23 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.08 175.82 11.37 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.37 144.68 25.88 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -145.71 147.31 31.8 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.046 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.71 174.15 9.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.871 169.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -42.67 87.24 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.7 0.286 . . . . 0.0 110.935 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.6 p -75.19 -44.04 48.68 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.111 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 39.7 m -63.41 -34.69 78.28 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -65.79 -48.21 72.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.641 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -58.33 -41.77 85.33 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.848 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.59 -45.73 89.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.071 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.28 -48.93 68.82 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.253 -175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -86.33 -1.93 57.96 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.732 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 32.0 t -70.21 -28.45 65.29 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 66.6 mtt -56.09 142.56 36.12 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.203 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.85 131.45 50.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.981 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.61 -8.76 66.35 Favored Glycine 0 CA--C 1.541 1.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.925 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -112.24 11.99 20.28 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 117.034 0.417 . . . . 0.0 111.292 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -66.57 -16.53 64.23 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -86.55 -2.89 58.86 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 111.72 0.266 . . . . 0.0 111.72 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.77 147.42 48.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.023 0.439 . . . . 0.0 111.316 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.7 p -149.12 149.65 30.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.53 161.09 37.69 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.787 2.325 . . . . 0.0 112.104 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.37 160.13 25.38 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 120.968 0.413 . . . . 0.0 110.911 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 39.0 tpp -152.03 144.87 24.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -76.97 163.43 26.71 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -159.03 -50.52 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.771 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 63.2 30.06 15.94 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.349 173.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -162.66 174.08 13.03 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 120.933 0.397 . . . . 0.0 110.935 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -151.75 140.06 20.41 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -145.04 152.92 40.88 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.634 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.56 154.93 38.39 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 32.3 m -69.28 -22.04 63.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.365 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 120.882 0.372 . . . . 0.0 110.688 -179.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.926 0 N-CA-C 112.376 -0.289 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -74.04 161.28 41.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.891 2.394 . . . . 0.0 112.259 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 31.0 m -88.27 39.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.797 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -161.3 138.29 8.71 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.535 -175.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.2 tt -92.46 142.75 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.443 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -104.29 112.11 65.35 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -81.31 -1.44 11.09 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.869 2.38 . . . . 0.0 112.662 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 63.88 24.23 13.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.824 0.45 . . . . 0.0 111.126 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 89.7 mt -135.86 153.37 51.5 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -146.89 116.42 7.09 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 51.59 39.5 25.07 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.4 m -87.26 150.42 23.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 143.24 57.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.703 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.5 130.46 46.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -68.16 -20.54 64.89 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.756 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.3 mm -82.04 -63.15 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 120.515 0.198 . . . . 0.0 111.045 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.02 -32.53 17.55 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 18.4 p 64.17 6.81 3.11 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 123.189 0.595 . . . . 0.0 112.142 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.3 p -100.18 -14.97 18.29 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.307 0.243 . . . . 0.0 111.373 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -150.16 153.22 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 122.577 0.351 . . . . 0.0 110.161 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.1 142.56 34.52 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.534 2.156 . . . . 0.0 111.977 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -98.12 112.53 4.49 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 111.921 -0.471 . . . . 0.0 111.921 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.81 -16.7 20.58 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.552 2.168 . . . . 0.0 112.548 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -98.36 144.0 28.21 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -134.65 127.07 30.4 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.24 134.14 40.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.36 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -93.21 -10.52 35.42 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.779 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.24 148.39 50.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 120.747 0.308 . . . . 0.0 110.923 -177.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.88 -26.72 68.91 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.93 -36.85 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 120.61 0.243 . . . . 0.0 110.788 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.9 m -105.93 -85.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.6 t80 56.8 51.74 10.45 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-O 121.055 0.455 . . . . 0.0 110.982 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.36 176.13 12.02 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -87.11 147.37 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.5 149.12 35.41 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 13.9 m -89.42 172.24 9.15 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -58.18 -34.2 70.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.605 0.24 . . . . 0.0 111.227 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 8.5 p -80.22 -44.8 19.1 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.017 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.26 -34.82 78.87 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.129 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -65.44 -46.54 79.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.576 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -58.35 -46.66 85.83 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.657 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -59.46 -45.71 90.85 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.143 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -65.69 -48.48 71.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.311 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -91.69 -5.7 53.29 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.68 -32.53 74.14 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.811 0.339 . . . . 0.0 110.505 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.8 mmt -57.87 138.24 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.88 144.16 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.706 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.69 -17.77 58.68 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.49 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.05 14.6 20.77 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -68.21 -14.9 63.33 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.542 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.25 -3.05 59.03 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -74.56 144.43 44.03 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.4 t -149.22 144.47 18.02 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.0 160.93 23.95 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.619 2.212 . . . . 0.0 112.263 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.42 156.77 33.71 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.922 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 63.5 mtt -145.81 153.02 40.44 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -71.27 133.01 45.75 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.471 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -80.38 130.12 34.96 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.78 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 60.93 -166.65 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -130.19 158.0 40.91 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -68.05 135.62 52.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 19.5 ttm105 -78.48 148.96 33.28 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.727 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.07 -33.06 65.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.059 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 32.5 p -104.5 156.28 18.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.979 0.419 . . . . 0.0 111.019 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.116 0.484 . . . . 0.0 110.922 179.361 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -76.98 -15.5 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.637 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 41.2 mm -69.37 -54.21 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 120.618 0.247 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.6 p -97.08 -26.94 14.81 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.0 m 66.25 20.57 11.07 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 122.798 0.439 . . . . 0.0 111.283 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 51.0 m -92.67 -46.56 7.52 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.308 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -171.24 164.42 4.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.54 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.5 145.94 97.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.642 2.228 . . . . 0.0 112.136 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.86 152.57 24.93 Favored Glycine 0 CA--C 1.546 2.024 0 C-N-CA 121.439 -0.41 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.56 -23.04 6.22 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.854 2.369 . . . . 0.0 112.567 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -98.03 138.92 34.63 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.656 0.265 . . . . 0.0 110.67 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -112.54 140.93 46.88 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 t -117.03 117.05 28.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -85.65 -10.67 55.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.87 146.79 36.21 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.757 0.313 . . . . 0.0 110.955 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -62.08 -25.99 68.02 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.79 -38.58 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.691 0.281 . . . . 0.0 110.869 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.97 -78.51 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 8.8 t80 58.75 46.62 13.98 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.175 0.512 . . . . 0.0 110.764 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -159.64 168.31 26.35 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -90.32 155.65 18.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.135 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -146.56 147.02 30.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.672 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.66 169.8 15.84 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.219 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -55.89 -48.63 75.28 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.4 p -70.45 -42.57 71.33 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 120.744 0.307 . . . . 0.0 111.077 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 54.4 m -66.21 -35.69 81.11 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.116 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -64.87 -47.81 76.53 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.07 -42.32 90.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.65 -43.66 92.91 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.065 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -66.02 -45.18 82.43 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.36 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -95.6 5.32 51.77 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.9 m -68.8 -35.41 76.97 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.6 137.53 57.89 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.854 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.12 146.23 48.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.42 -25.14 29.2 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.18 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.45 5.28 17.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.665 0.269 . . . . 0.0 111.207 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.92 -6.48 38.75 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -90.11 -3.98 57.59 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 120.569 0.223 . . . . 0.0 111.536 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -73.86 161.8 29.78 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 27.1 t -148.77 138.01 12.34 Favored Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.361 1.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 -176.277 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -69.63 -31.39 69.47 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.678 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.9 mm -82.18 -70.28 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.8 p -75.51 -30.49 59.83 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.404 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.3 m 60.07 21.36 10.55 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.532 0.333 . . . . 0.0 111.506 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -10.61 11.76 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.597 0.237 . . . . 0.0 111.52 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.78 157.01 8.92 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 122.335 0.254 . . . . 0.0 110.437 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.95 160.86 30.28 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.693 2.262 . . . . 0.0 112.094 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -113.04 147.62 18.52 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.092 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.42 -23.87 6.94 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.787 2.324 . . . . 0.0 112.466 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -93.95 139.21 31.19 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.816 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.08 134.47 54.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.7 t -103.72 125.61 50.31 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.397 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -86.58 -16.42 36.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.6 144.31 56.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -62.99 -22.07 66.58 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.446 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.93 -37.01 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-O 120.601 0.239 . . . . 0.0 110.826 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.59 -76.71 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 57.35 51.93 9.35 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.873 0.469 . . . . 0.0 111.173 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -162.72 -179.99 7.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -88.64 151.7 22.3 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -146.42 145.08 30.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.3 m -75.1 169.74 17.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.227 171.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -58.66 -49.14 78.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.552 0.215 . . . . 0.0 111.193 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.7 t -70.92 -37.79 72.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.05 -38.3 82.31 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -63.39 -46.28 87.17 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.626 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.33 -41.71 80.51 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.944 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -69.57 -47.15 64.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -58.7 -42.26 88.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.235 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -99.6 15.33 27.0 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.459 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -77.65 -33.72 53.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.855 0.359 . . . . 0.0 110.747 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 63.9 mtt -65.35 141.0 58.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.76 143.58 56.03 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.7 -18.75 56.46 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.507 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.35 9.12 19.8 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.703 0.287 . . . . 0.0 111.206 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -69.03 -13.0 62.19 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.478 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.83 -3.05 58.97 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -74.21 148.71 41.35 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 73.1 m -134.7 137.53 27.73 Favored Pre-proline 0 N--CA 1.483 1.209 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.705 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 C--N 1.359 1.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.704 -175.639 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 120.741 0.305 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.79 -20.57 61.84 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.796 -173.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 45.6 mm -73.6 -62.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-O 120.492 0.187 . . . . 0.0 110.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.31 -28.81 25.02 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.379 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 40.5 p 60.56 18.97 8.85 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 123.03 0.532 . . . . 0.0 111.811 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 72.1 p -115.25 -20.09 10.51 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -152.6 157.15 33.58 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.171 0.189 . . . . 0.0 110.733 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.36 151.87 83.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.551 2.167 . . . . 0.0 112.116 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.58 110.38 3.96 Favored Glycine 0 CA--C 1.545 1.94 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.8 -14.78 39.72 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.479 2.119 . . . . 0.0 112.631 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -105.67 149.6 26.21 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.862 0.363 . . . . 0.0 110.654 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -135.68 130.27 34.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.335 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.25 130.24 44.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -89.81 -3.23 58.24 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.72 149.47 43.74 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.688 0.28 . . . . 0.0 110.966 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -65.37 -26.8 68.17 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.84 -35.71 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.719 0.295 . . . . 0.0 110.823 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.79 -86.57 0.49 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.5 t80 61.92 38.27 14.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.717 0.407 . . . . 0.0 111.128 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -141.4 176.9 8.49 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.94 143.06 27.11 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.65 152.09 43.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 111.208 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.7 m -92.24 173.42 7.83 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.2 69.55 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 49.5 m -72.17 -37.45 69.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.681 0.277 . . . . 0.0 111.16 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.54 -36.62 81.35 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -65.19 -47.8 75.69 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -59.04 -39.89 83.36 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.857 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -65.02 -45.68 84.51 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.061 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -67.11 -48.84 66.92 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.313 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -86.22 -0.38 55.61 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.701 -170.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.4 t -69.45 -30.41 68.31 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.939 0.399 . . . . 0.0 110.524 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -57.12 136.99 56.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.15 139.81 58.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 94.81 -10.13 70.55 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.662 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.1 15.53 20.54 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 116.835 0.317 . . . . 0.0 111.024 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -68.98 -16.4 63.72 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.492 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -87.73 2.11 52.03 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 120.659 0.266 . . . . 0.0 111.651 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -77.64 146.54 36.05 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 120.967 0.413 . . . . 0.0 111.077 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.3 t -149.06 141.64 15.32 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.383 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo . . . . . 0 C--N 1.357 0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 112.116 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -71.26 -30.84 66.79 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.773 -174.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.47 -66.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.313 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.2 p -81.17 -26.6 35.91 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.438 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.0 m 57.45 23.59 9.25 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.487 0.315 . . . . 0.0 111.652 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 71.1 m -115.15 -6.77 12.47 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.437 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.07 159.21 7.76 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 122.478 0.311 . . . . 0.0 110.343 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.13 149.98 47.15 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.326 2.017 . . . . 0.0 111.823 171.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.04 141.23 15.44 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 -17.74 18.93 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.672 2.248 . . . . 0.0 112.458 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -105.24 140.43 38.4 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.777 0.322 . . . . 0.0 110.7 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.34 132.76 54.96 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.375 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.8 128.27 44.32 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.5 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -0.17 57.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.91 152.04 41.63 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.65 -28.06 68.17 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.22 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.83 -41.78 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 120.66 0.266 . . . . 0.0 110.71 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.36 -83.04 0.46 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 -175.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.07 37.74 14.47 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.747 0.419 . . . . 0.0 111.151 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -140.89 176.48 8.77 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -91.47 150.07 21.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -147.96 146.86 29.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.5 m -81.38 177.17 9.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.222 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -56.93 -57.65 11.6 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.67 0.272 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.2 m -69.96 -33.39 72.04 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.712 0.292 . . . . 0.0 111.043 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.11 -38.74 79.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.011 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -65.13 -45.9 83.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.77 -44.15 86.01 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.811 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.12 -44.88 94.37 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.18 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.13 -48.77 69.74 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.239 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.87 -2.73 58.73 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.741 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 47.8 t -66.23 -31.77 72.79 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 62.5 mtt -59.37 134.47 57.03 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.77 146.88 53.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.972 0.415 . . . . 0.0 110.846 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.0 -17.11 59.96 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.404 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.2 mp -112.25 8.51 19.79 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 122.399 0.28 . . . . 0.0 111.109 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -68.08 -11.32 58.84 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -89.01 -2.34 58.53 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -74.48 162.26 28.99 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 35.7 p -148.73 138.98 13.13 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.809 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--N 1.359 1.111 0 C-N-CA 122.777 2.318 . . . . 0.0 112.553 -176.617 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 CA--C 1.538 0.507 0 CA-C-O 120.668 0.27 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.27 -15.9 61.91 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.891 -172.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.73 -64.33 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 120.519 0.199 . . . . 0.0 110.987 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -87.92 -29.61 20.7 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.7 m 61.23 17.68 8.41 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.643 0.377 . . . . 0.0 111.727 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.4 t -104.86 -12.16 16.39 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.45 156.05 12.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.483 0.313 . . . . 0.0 110.297 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.79 138.26 28.59 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.378 2.052 . . . . 0.0 112.159 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.84 124.33 7.23 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.35 -13.41 20.7 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.632 2.221 . . . . 0.0 112.482 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -107.21 140.5 39.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -129.89 131.26 45.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.08 131.55 43.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -92.76 -8.38 43.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.833 -172.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.91 146.04 55.48 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.49 -25.35 68.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.218 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.43 -36.99 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-O 120.645 0.26 . . . . 0.0 110.913 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 90.4 m -105.91 -84.33 0.51 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.047 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.7 t80 60.3 41.49 16.35 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.003 0.43 . . . . 0.0 110.892 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -140.61 169.73 17.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.191 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.5 143.06 26.73 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.633 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -143.6 148.31 35.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 111.289 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.18 178.22 7.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.071 169.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -56.76 -51.9 67.07 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.698 0.285 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 20.2 m -72.22 -37.24 69.25 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.158 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 51.8 m -68.72 -36.38 78.35 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.001 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -65.98 -46.8 76.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.525 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.57 -42.04 82.3 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -66.69 -47.59 71.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.034 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -60.68 -43.92 97.12 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.176 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -93.63 6.62 47.66 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.56 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 14.6 t -70.85 -29.64 65.82 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.966 0.412 . . . . 0.0 110.63 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 19.3 mmt -59.17 141.05 55.19 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -61.55 137.36 58.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.89 -8.79 73.49 Favored Glycine 0 CA--C 1.541 1.712 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.19 8.84 20.02 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.943 0.372 . . . . 0.0 111.282 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.96 -10.43 58.56 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.57 0.224 . . . . 0.0 111.564 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -87.25 -4.1 59.07 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 122.299 0.239 . . . . 0.0 111.592 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -72.45 151.34 42.62 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.937 0.399 . . . . 0.0 111.122 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 33.0 p -149.03 151.91 35.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--N 1.354 0.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.229 179.711 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.852 0.358 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.92 -15.23 61.14 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.757 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.6 mm -85.91 -61.87 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.461 0.172 . . . . 0.0 111.02 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.1 -26.17 25.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.507 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 m 58.51 24.55 12.02 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.565 0.346 . . . . 0.0 111.577 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 61.6 m -122.64 -16.1 7.32 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -154.32 154.86 30.24 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 122.528 0.331 . . . . 0.0 110.235 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.34 139.74 29.43 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.377 2.051 . . . . 0.0 111.88 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.97 117.29 4.86 Favored Glycine 0 CA--C 1.544 1.86 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -71.13 -20.61 28.32 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.515 2.143 . . . . 0.0 112.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -98.87 143.78 28.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.815 0.34 . . . . 0.0 110.655 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -129.79 132.94 46.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.2 t -104.49 126.98 52.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.198 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -8.81 48.34 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.08 147.63 46.75 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.96 -26.65 68.33 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.198 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.36 -36.39 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 120.64 0.257 . . . . 0.0 110.861 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.4 m -107.0 -82.6 0.54 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.7 t80 58.51 40.54 23.77 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 120.922 0.392 . . . . 0.0 110.937 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -143.65 172.36 12.92 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.11 144.87 25.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -144.12 150.41 38.06 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.919 0.39 . . . . 0.0 111.295 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.6 m -89.6 173.86 8.08 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.953 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.28 -41.49 79.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 16.2 m -77.14 -39.52 48.95 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.775 0.322 . . . . 0.0 111.078 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.99 -34.39 75.22 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.022 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -66.19 -47.12 74.99 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.45 -43.9 88.99 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.775 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.74 -45.04 95.63 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.148 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -67.1 -47.71 70.37 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.247 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -89.06 2.33 54.23 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.73 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.9 m -68.78 -30.33 68.9 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.677 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.31 138.8 57.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.12 147.12 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.7 -13.52 67.26 Favored Glycine 0 CA--C 1.542 1.744 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.577 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.05 15.38 20.64 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.094 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.34 -17.34 64.71 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.497 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -86.63 -2.63 58.67 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -77.88 147.71 34.96 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 120.848 0.356 . . . . 0.0 111.024 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.8 p -148.96 149.2 29.53 Favored Pre-proline 0 CA--C 1.554 1.119 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.53 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 C--N 1.355 0.869 0 C-N-CA 122.593 2.195 . . . . 0.0 112.314 -176.161 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 120.899 0.38 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.74 -32.89 73.81 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.74 -175.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.87 -65.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.139 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 p -80.59 -33.95 35.58 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.361 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.5 m 63.97 8.56 4.0 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 122.775 0.43 . . . . 0.0 111.768 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 63.4 p -110.46 -11.45 14.49 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.311 0.244 . . . . 0.0 111.284 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -146.94 151.43 41.66 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.343 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.51 146.02 21.33 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.714 2.276 . . . . 0.0 112.307 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -109.4 137.49 14.24 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.34 -20.07 8.63 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.672 2.248 . . . . 0.0 112.779 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -97.91 139.94 33.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.21 135.29 53.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.6 t -106.24 130.53 54.09 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.42 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.88 -17.48 27.98 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.45 146.04 52.52 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.31 -25.82 67.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.207 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 11.5 t -63.84 -31.22 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.953 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 71.0 m -115.05 -80.74 0.6 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.01 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.3 52.46 8.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.008 0.432 . . . . 0.0 111.082 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -165.57 -179.95 5.72 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -89.7 151.72 21.71 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.0 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -146.25 144.32 29.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.8 m -76.62 168.85 19.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.082 170.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -57.79 -46.9 83.95 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.701 0.286 . . . . 0.0 111.097 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.9 p -70.65 -42.29 71.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.767 0.317 . . . . 0.0 111.071 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 85.0 m -66.44 -37.37 85.01 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -64.36 -48.14 76.66 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.647 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.23 -40.12 80.88 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.821 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -66.44 -46.57 76.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.137 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -47.86 70.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.756 0.313 . . . . 0.0 111.096 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -85.52 3.13 41.81 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.583 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.8 t -66.3 -31.96 73.08 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -57.33 137.33 56.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.73 139.16 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.39 -11.04 63.4 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.5 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.98 11.86 20.64 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -70.5 -12.44 61.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.51 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -86.24 -4.36 59.15 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 122.308 0.243 . . . . 0.0 111.649 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -74.34 156.53 37.01 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.87 0.366 . . . . 0.0 110.777 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 56.6 p -148.72 141.93 15.73 Favored Pre-proline 0 CA--C 1.554 1.133 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.825 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo . . . . . 0 C--N 1.359 1.105 0 C-N-CA 122.789 2.326 . . . . 0.0 112.496 -176.182 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 28.0 t . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 120.835 0.35 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -64.08 -36.95 85.7 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.76 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.2 -71.27 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -171.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.8 p -76.8 -35.8 57.37 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -172.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 19.8 m 64.08 12.0 6.63 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.747 0.419 . . . . 0.0 111.579 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 42.0 m -91.41 -8.64 47.32 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.649 0.261 . . . . 0.0 111.405 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.79 158.96 11.25 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 122.465 0.306 . . . . 0.0 110.36 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.56 149.18 55.12 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.404 2.07 . . . . 0.0 112.021 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.71 133.32 11.3 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.895 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 -14.35 17.86 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 122.569 2.179 . . . . 0.0 112.525 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -108.04 140.94 40.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.738 0.304 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -125.6 131.43 52.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.244 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.7 t -97.06 133.07 42.21 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -94.11 -4.66 48.89 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.99 149.68 43.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.67 -26.75 68.52 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.07 -36.56 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 120.621 0.248 . . . . 0.0 110.873 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.6 m -107.95 -78.73 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.101 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.7 t80 56.39 48.57 16.7 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.07 0.462 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -157.48 178.24 10.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -91.74 150.12 21.27 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -147.26 149.5 33.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -78.68 174.44 11.4 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.264 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -56.33 -56.9 15.34 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.742 0.306 . . . . 0.0 111.124 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.4 m -69.97 -33.65 72.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.136 -176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.08 -39.17 79.21 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -63.82 -46.74 83.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.653 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.32 -43.56 88.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.822 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -64.96 -44.29 89.89 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.977 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -64.19 -47.55 79.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -91.46 3.47 54.89 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.5 m -74.14 -29.85 62.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.63 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.76 137.03 56.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.25 135.24 57.67 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.765 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.61 -14.51 60.54 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.654 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.24 12.65 20.37 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.841 0.32 . . . . 0.0 111.17 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -70.12 -12.32 61.52 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.508 0.194 . . . . 0.0 111.452 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -91.3 2.95 56.01 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 122.428 0.291 . . . . 0.0 111.704 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -78.77 149.96 32.52 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -145.0 145.42 27.26 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 C--N 1.356 0.966 0 C-N-CA 122.686 2.257 . . . . 0.0 112.161 179.626 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -70.56 -23.33 62.59 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.706 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.62 -56.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-O 120.678 0.275 . . . . 0.0 110.814 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 p -91.5 -33.59 15.13 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.36 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.36 17.84 10.76 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 122.7 0.4 . . . . 0.0 111.473 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.3 p -113.2 -16.96 12.46 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -166.98 156.2 9.62 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 120.508 0.194 . . . . 0.0 110.815 -174.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.92 150.43 34.33 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.635 2.223 . . . . 0.0 112.062 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.86 132.65 11.37 Favored Glycine 0 CA--C 1.546 2.017 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.19 -21.55 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.74 2.293 . . . . 0.0 112.58 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.98 139.92 31.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -113.96 134.91 54.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.7 t -101.1 129.57 47.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -93.52 -5.97 47.85 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.63 149.99 43.43 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -64.25 -26.94 68.73 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.235 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 31.6 t -65.39 -36.81 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.656 0.265 . . . . 0.0 110.915 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.79 -76.08 0.62 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.4 t80 56.54 47.34 18.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.779 0.432 . . . . 0.0 111.128 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -162.12 -179.97 7.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -90.59 152.2 20.99 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.37 152.53 38.33 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.676 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.5 m -81.67 173.4 12.37 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.34 -51.08 71.33 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.702 0.286 . . . . 0.0 111.157 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.6 m -70.7 -36.74 73.42 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 47.5 m -69.68 -39.08 77.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -63.25 -46.54 86.39 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.628 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -56.72 -46.06 81.52 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.3 -45.12 92.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.09 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -65.86 -46.85 76.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.37 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -91.48 -3.41 56.62 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 9.2 m -66.87 -31.79 72.62 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.2 mmt -58.01 136.0 57.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.71 137.91 58.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.675 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.53 -18.58 53.09 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.596 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.28 7.32 19.31 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.861 0.331 . . . . 0.0 111.239 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.93 -4.6 33.13 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -92.92 1.04 57.5 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 122.415 0.286 . . . . 0.0 111.502 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -78.15 162.72 26.42 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 24.5 t -148.77 135.92 10.7 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.36 1.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.597 -176.128 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.748 0.309 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -69.69 -24.21 63.55 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.741 -172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.0 mm -81.41 -64.26 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.118 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.18 -29.69 21.57 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.5 m 62.11 20.17 11.43 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.654 0.382 . . . . 0.0 111.399 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.7 m -97.61 -23.22 16.08 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -170.82 156.65 5.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.584 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.18 143.75 40.49 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.527 2.152 . . . . 0.0 111.892 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -95.25 156.0 21.57 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.317 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.9 -26.14 6.96 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.843 2.362 . . . . 0.0 112.597 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -91.42 140.02 30.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.729 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -122.74 133.11 54.49 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.493 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.1 t -104.37 123.21 47.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.578 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -84.22 -12.83 54.15 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.51 146.77 47.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.694 0.283 . . . . 0.0 110.97 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.53 -23.38 67.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.96 -34.96 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 120.661 0.267 . . . . 0.0 110.705 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.17 -83.98 0.55 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -175.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 61.74 36.88 16.1 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.856 0.462 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -141.69 172.62 12.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -90.11 157.23 17.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -149.43 147.26 28.04 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.961 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -73.41 168.26 19.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.298 171.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -57.78 -47.22 83.16 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.204 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -73.33 -40.54 64.38 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.791 0.329 . . . . 0.0 111.04 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.27 -37.83 86.39 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.08 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -63.0 -47.54 82.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.64 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -57.61 -41.32 81.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.857 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -68.37 -45.76 71.88 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -40.68 92.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.289 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -92.79 2.61 56.66 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.554 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -31.28 70.45 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.95 0.405 . . . . 0.0 110.642 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 20.3 mmt -57.5 138.99 54.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.4 142.24 58.49 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.63 -14.77 63.76 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.1 11.96 20.48 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -67.98 -13.58 62.29 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.475 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -88.25 -2.46 58.62 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -75.39 143.77 42.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.2 m -146.02 143.89 20.53 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo . . . . . 0 C--N 1.355 0.904 0 C-N-CA 122.7 2.266 . . . . 0.0 112.262 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.8 0.333 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.2 -33.62 75.76 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.768 -173.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.2 mm -73.12 -58.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.185 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.8 p -91.54 -24.78 19.51 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.5 m 59.43 25.12 13.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 122.555 0.342 . . . . 0.0 111.284 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.0 t -98.39 -39.6 8.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.241 -176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -172.09 157.66 4.09 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.402 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.13 134.78 37.96 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.442 2.095 . . . . 0.0 111.798 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -79.57 156.47 40.89 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.224 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.32 -22.04 11.31 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.858 2.372 . . . . 0.0 112.511 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -98.91 139.53 34.44 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.558 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -118.13 131.34 56.42 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.383 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 40.8 t -97.07 123.95 40.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.53 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 2.46 56.62 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.64 151.4 43.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -65.45 -28.02 68.93 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.26 -41.29 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 120.59 0.233 . . . . 0.0 110.818 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 86.9 m -101.08 -79.21 0.51 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.183 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 58.53 48.06 12.52 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.143 0.497 . . . . 0.0 110.775 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -157.67 172.22 18.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -91.26 153.45 19.96 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.3 147.01 28.83 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.99 174.3 10.79 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 174.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.56 -48.1 75.32 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.668 0.27 . . . . 0.0 111.196 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.1 p -74.5 -40.89 61.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.692 0.282 . . . . 0.0 111.077 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.11 -35.87 81.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -66.3 -46.06 78.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -58.41 -43.23 88.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -65.61 -45.9 81.36 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.115 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -62.01 -45.16 94.85 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -94.44 1.8 55.77 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -171.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 34.1 t -69.01 -32.07 71.34 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 58.2 ttm -58.63 135.74 57.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.72 137.87 57.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.761 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.24 59.69 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.646 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.3 mp -112.23 6.72 19.14 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 116.81 0.305 . . . . 0.0 111.256 177.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -71.0 -8.23 51.84 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -89.06 -3.33 58.71 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -72.38 158.31 36.01 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.999 0.428 . . . . 0.0 111.097 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 52.8 p -148.9 144.15 17.87 Favored Pre-proline 0 CA--C 1.553 1.063 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo . . . . . 0 C--N 1.357 1.02 0 C-N-CA 122.823 2.349 . . . . 0.0 112.315 -178.404 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.58 -26.84 64.66 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.695 -173.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 29.7 mm -77.11 -63.94 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.057 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.92 -27.15 26.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.515 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.1 m 58.31 21.43 8.25 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.58 0.352 . . . . 0.0 111.656 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.5 m -116.61 -9.17 11.4 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.521 -175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.88 158.51 7.84 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 122.334 0.253 . . . . 0.0 110.552 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.61 155.9 44.83 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.13 . . . . 0.0 111.832 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.64 144.46 16.42 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 -21.9 12.64 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.748 2.298 . . . . 0.0 112.539 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -102.4 139.44 38.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 110.753 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -117.23 136.51 53.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.02 127.83 43.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -91.37 3.26 55.35 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.101 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.8 150.82 32.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 111.052 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -60.92 -29.31 69.52 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.09 -37.1 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.081 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.4 m -104.6 -80.0 0.54 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.517 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.2 57.98 6.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.623 -171.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -158.13 154.6 27.72 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.912 -173.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -81.42 144.97 31.03 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -144.57 146.96 32.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.853 0.359 . . . . 0.0 111.116 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.15 171.25 14.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.224 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -48.17 82.67 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 120.771 0.32 . . . . 0.0 111.047 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -40.93 72.14 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.59 -38.71 87.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.017 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -62.62 -46.08 89.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.694 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -58.51 -46.03 87.55 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.23 -42.47 98.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -47.31 62.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -91.13 -8.28 49.21 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 40.7 t -62.85 -32.59 73.86 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.633 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 60.5 mtt -57.46 134.59 56.2 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.33 144.59 50.25 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 97.89 -21.7 44.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.484 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.34 7.1 19.13 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.818 0.309 . . . . 0.0 111.26 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.19 -4.3 28.51 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -175.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -93.09 1.72 57.08 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 122.391 0.276 . . . . 0.0 111.483 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -77.76 158.38 29.61 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 13.1 m -143.52 140.66 17.75 Favored Pre-proline 0 N--CA 1.481 1.109 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo . . . . . 0 C--N 1.357 0.987 0 C-N-CA 122.805 2.337 . . . . 0.0 112.071 177.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 120.774 0.321 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.06 -32.27 73.63 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 42.6 mm -82.79 -64.3 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.223 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.61 -29.74 27.49 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.531 -172.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 36.6 m 59.3 18.51 6.73 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 122.518 0.327 . . . . 0.0 111.7 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 66.3 m -113.01 -5.76 13.77 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 120.586 0.231 . . . . 0.0 111.366 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.85 155.1 10.73 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 122.496 0.319 . . . . 0.0 110.238 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.13 137.46 23.86 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.53 2.153 . . . . 0.0 112.08 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -90.75 127.99 9.08 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.65 -23.44 14.6 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.598 2.199 . . . . 0.0 112.701 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -93.13 143.63 26.06 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.796 0.332 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -127.88 131.42 49.43 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.2 131.03 44.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -90.11 -2.38 58.08 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.48 149.03 40.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.61 -23.91 66.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.401 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.68 -37.05 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 120.698 0.285 . . . . 0.0 110.779 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.42 -84.41 0.5 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 1.7 t80 60.1 35.06 21.28 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.743 0.417 . . . . 0.0 111.255 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -140.86 176.84 8.47 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -88.23 146.73 25.19 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -145.16 150.85 37.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.0 m -85.52 175.84 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.204 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -58.97 -53.93 52.86 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.1 m -71.57 -33.88 69.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.39 -40.33 77.43 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.877 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -61.95 -45.84 91.9 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.625 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -57.47 -45.92 84.27 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.787 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.93 -45.04 95.44 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.096 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.59 78.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.148 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -90.02 -4.57 57.34 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -171.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.8 -32.55 74.14 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.812 0.339 . . . . 0.0 110.598 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.2 mmt -57.66 136.1 56.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.18 143.35 55.71 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.14 -15.68 62.49 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.598 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.07 14.71 20.75 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -69.35 -13.22 62.26 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.485 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -88.62 1.66 54.59 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 122.341 0.256 . . . . 0.0 111.665 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -79.92 147.28 31.71 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 120.879 0.371 . . . . 0.0 111.201 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 81.1 p -149.15 150.13 31.24 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.354 0.837 0 C-N-CA 122.923 2.415 . . . . 0.0 112.082 177.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -71.43 -28.43 63.97 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.649 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.26 -65.6 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.032 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.5 p -81.69 -29.42 33.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.496 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.4 m 59.42 25.86 14.67 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.587 0.355 . . . . 0.0 111.422 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.8 p -132.4 -0.59 3.6 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.524 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -160.48 140.59 8.43 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.42 136.45 23.96 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.398 2.065 . . . . 0.0 111.834 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.71 128.6 8.99 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.087 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.38 -15.8 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 176.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -104.44 144.88 31.06 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-O 120.736 0.303 . . . . 0.0 110.704 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -130.42 132.44 45.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.141 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 125.93 42.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -88.01 -0.4 56.97 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.32 151.66 39.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.04 -24.62 66.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.94 -37.42 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.618 0.247 . . . . 0.0 110.683 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 76.3 m -105.88 -83.16 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.076 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.4 t80 59.89 39.2 20.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -140.15 171.59 13.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -90.17 145.25 25.17 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.665 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -144.91 146.02 31.82 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.274 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -81.32 175.53 10.51 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.141 169.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.16 -51.72 68.53 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 15.4 m -71.62 -35.05 70.33 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.778 0.323 . . . . 0.0 111.064 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.2 m -70.54 -35.7 73.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.59 -44.72 85.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.496 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -58.15 -41.77 84.46 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.909 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -68.0 -47.4 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.955 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -57.39 -43.06 83.32 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.175 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -98.01 11.97 35.81 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.393 -175.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -69.02 -33.93 74.42 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 64.6 mtt -66.61 145.27 55.78 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.83 156.32 36.6 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.25 -13.42 67.66 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.155 -175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.11 18.64 19.19 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.745 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -62.97 -20.52 65.34 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.529 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -88.49 3.55 49.79 Favored 'General case' 0 CA--C 1.566 1.583 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.798 -175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -81.32 142.08 33.41 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.901 0.382 . . . . 0.0 111.096 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 49.5 m -148.37 148.29 28.36 Favored Pre-proline 0 N--CA 1.476 0.826 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo . . . . . 0 C--N 1.353 0.801 0 C-N-CA 122.641 2.227 . . . . 0.0 112.013 177.696 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 30.3 t . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 120.919 0.39 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -67.79 -38.04 82.83 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.726 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.58 -67.56 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.094 -172.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.9 p -84.48 -38.76 19.71 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.397 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 17.3 m 62.01 19.39 10.74 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 122.654 0.382 . . . . 0.0 111.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 14.9 m -97.37 -4.22 38.85 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.669 0.271 . . . . 0.0 111.156 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -167.28 145.03 3.97 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.183 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.04 140.09 87.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.478 2.119 . . . . 0.0 112.11 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.48 126.97 8.67 Favored Glycine 0 CA--C 1.546 1.993 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.54 -20.7 23.24 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.579 2.186 . . . . 0.0 112.439 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -101.64 142.04 33.58 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -126.4 130.56 50.96 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 43.0 t -97.11 129.91 44.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -3.33 56.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.76 145.63 46.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -64.06 -22.84 67.1 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 33.7 t -68.11 -38.19 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 120.667 0.27 . . . . 0.0 110.774 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.7 m -105.65 -78.57 0.57 Allowed 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.936 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.5 t80 57.5 48.47 14.43 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 122.78 0.432 . . . . 0.0 111.097 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -158.81 177.84 10.74 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.95 149.23 21.96 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.52 149.71 34.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 9.8 m -80.74 173.79 12.26 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.22 170.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -59.75 -47.81 84.2 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -72.88 -39.75 66.16 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.7 0.286 . . . . 0.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.7 m -67.18 -35.42 79.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.01 -46.88 79.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.64 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.06 -41.27 83.01 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.879 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.93 -47.3 72.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.965 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.5 -44.75 93.04 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.263 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -94.03 9.42 37.7 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.487 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 20.6 t -73.0 -31.81 64.74 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.54 139.0 57.52 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.89 140.55 58.88 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.66 -10.65 68.7 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.599 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.08 11.1 20.42 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 116.844 0.322 . . . . 0.0 111.036 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.41 -15.2 63.54 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.582 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -85.9 -3.61 58.96 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -73.03 147.65 44.87 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.5 m -144.81 145.76 29.08 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.479 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 C--N 1.356 0.948 0 C-N-CA 122.741 2.294 . . . . 0.0 112.225 179.834 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.794 0.331 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.78 -33.36 64.2 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.709 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.2 -67.85 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.229 -172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.48 -28.19 46.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 42.6 m 57.03 24.82 10.0 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 122.49 0.316 . . . . 0.0 111.518 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.0 m -119.04 -6.56 10.46 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.413 -175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -168.02 160.24 9.47 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 122.463 0.305 . . . . 0.0 110.387 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.66 153.57 76.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.571 2.181 . . . . 0.0 112.374 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -100.28 109.46 3.71 Favored Glycine 0 CA--C 1.546 1.975 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.03 -15.72 47.54 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 122.604 2.203 . . . . 0.0 112.588 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -110.14 144.75 38.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.859 0.361 . . . . 0.0 110.717 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -130.27 133.16 46.29 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.097 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.17 130.05 44.46 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -90.72 -1.45 57.86 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.34 151.65 41.19 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.846 0.355 . . . . 0.0 111.084 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -31.08 70.99 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.216 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.81 -40.96 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.863 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.5 m -98.51 -86.26 0.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.925 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.6 t80 62.72 37.98 12.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.789 0.436 . . . . 0.0 111.093 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -141.22 177.35 8.15 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.068 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -92.85 143.5 26.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.4 150.85 38.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.176 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 14.8 m -87.43 176.8 7.33 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.11 -44.83 92.01 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.127 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.8 p -73.79 -42.02 61.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.67 -35.16 79.98 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -65.18 -46.15 81.98 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.65 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -58.5 -40.93 84.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.925 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -67.73 -47.36 69.54 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.059 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.86 -43.79 90.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.288 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -96.03 11.42 34.13 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.473 -174.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -73.49 -32.31 64.21 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.842 0.353 . . . . 0.0 110.709 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -62.82 141.0 58.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.71 143.84 57.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.19 -11.23 69.36 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.626 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mp -112.11 13.25 20.6 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.707 0.289 . . . . 0.0 110.994 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -68.4 -14.66 63.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.586 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -87.99 1.89 53.08 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 122.341 0.256 . . . . 0.0 111.69 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -78.86 150.51 32.2 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.915 0.388 . . . . 0.0 111.144 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 80.1 p -149.1 149.77 30.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo . . . . . 0 C--N 1.356 0.952 0 C-N-CA 122.814 2.343 . . . . 0.0 112.215 178.797 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -69.72 -17.51 63.46 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.792 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.82 -58.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 120.564 0.221 . . . . 0.0 110.853 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.56 -31.94 13.67 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.607 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.3 m 63.62 14.25 7.97 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 122.933 0.493 . . . . 0.0 111.796 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.5 p -105.34 -11.22 16.57 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 120.609 0.242 . . . . 0.0 111.497 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -168.21 156.46 8.05 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.45 -174.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -75.38 144.65 29.27 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.525 2.15 . . . . 0.0 112.178 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -94.55 121.09 6.62 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.09 -23.51 12.0 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.607 2.205 . . . . 0.0 112.708 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.18 143.68 26.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.712 0.292 . . . . 0.0 110.782 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -125.36 132.72 52.76 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 53.8 t -97.17 134.97 39.79 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.565 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -94.69 -4.13 48.07 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.41 148.56 39.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.751 0.31 . . . . 0.0 110.797 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.6 -23.03 66.73 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.468 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.34 -36.16 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 120.646 0.26 . . . . 0.0 110.808 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.35 -76.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.117 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.5 t80 53.15 49.23 20.43 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 121.005 0.431 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 176.53 12.06 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.079 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -87.72 148.4 24.77 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -146.35 151.37 37.38 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.7 m -86.25 171.8 10.97 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.979 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -57.86 -45.97 85.51 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.686 0.279 . . . . 0.0 110.954 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 9.7 p -69.99 -44.25 69.78 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 42.3 m -65.61 -36.23 83.11 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.059 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -64.61 -49.16 72.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.632 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.55 -42.0 91.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.73 177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -63.22 -43.02 99.26 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.168 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -73.68 -47.65 38.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.695 0.283 . . . . 0.0 111.553 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.16 -11.06 53.57 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -169.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.7 t -67.73 -30.84 70.42 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -52.66 133.94 36.18 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.37 133.57 55.85 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.88 -19.72 48.55 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.493 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.41 5.65 18.24 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 116.899 0.35 . . . . 0.0 111.355 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -70.52 -4.58 23.6 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -93.94 0.15 55.92 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 122.421 0.288 . . . . 0.0 111.624 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -76.27 154.27 35.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.931 0.396 . . . . 0.0 111.201 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 78.1 p -149.08 150.32 31.87 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 122.707 2.272 . . . . 0.0 112.042 178.133 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 120.709 0.29 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -71.72 -15.07 62.19 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.885 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 38.2 mm -76.35 -57.42 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-O 120.608 0.242 . . . . 0.0 110.797 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.35 -29.18 17.25 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.456 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.2 m 61.34 23.6 13.82 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.748 0.419 . . . . 0.0 111.601 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.7 p -120.3 -25.76 5.59 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -152.02 154.29 32.41 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 122.405 0.282 . . . . 0.0 110.48 -175.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.64 144.82 28.65 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.74 131.4 10.53 Favored Glycine 0 CA--C 1.546 2.025 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.029 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.52 -23.18 8.72 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.738 2.292 . . . . 0.0 112.537 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -97.81 140.87 31.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.658 0.266 . . . . 0.0 110.661 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -117.45 135.25 54.04 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.61 126.86 47.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.427 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -3.62 57.12 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -71.57 148.58 46.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.02 -23.56 66.58 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.367 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 43.4 t -68.35 -40.14 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 120.637 0.256 . . . . 0.0 110.742 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.88 -76.14 0.6 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.8 t80 55.76 49.02 17.05 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.941 0.401 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.15 176.76 11.57 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -94.14 147.75 22.86 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -146.51 147.48 31.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.943 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.03 176.26 9.9 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.275 171.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.88 -52.45 65.45 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.674 0.273 . . . . 0.0 111.186 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.5 m -70.83 -35.91 72.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.55 -36.58 76.47 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -65.27 -46.12 81.75 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.497 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -57.22 -45.34 83.95 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.803 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.48 -44.94 92.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.04 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -63.17 -43.93 96.87 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.318 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -95.87 5.02 52.28 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -171.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.5 m -69.0 -31.1 69.68 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.829 0.347 . . . . 0.0 110.7 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.1 ttt -58.02 131.38 50.3 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.08 138.05 58.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.83 58.42 Favored Glycine 0 CA--C 1.537 1.465 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.403 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.14 10.2 20.23 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -68.68 -12.16 61.06 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -87.68 -1.99 58.32 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -76.32 154.74 34.8 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 51.0 m -143.24 139.25 16.41 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.635 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 C--N 1.359 1.081 0 C-N-CA 122.74 2.293 . . . . 0.0 112.451 -177.561 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 N--CA 1.472 0.666 0 CA-C-O 120.652 0.263 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -73.47 -19.04 61.05 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.739 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 33.8 mm -71.39 -59.51 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.618 0.247 . . . . 0.0 110.84 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.78 -27.66 18.75 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.448 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 50.5 m 58.72 22.44 10.0 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.716 0.406 . . . . 0.0 111.528 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.8 m -117.86 -10.58 10.43 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.594 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -169.26 156.11 6.52 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 122.315 0.246 . . . . 0.0 110.486 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.63 140.27 35.64 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.605 2.203 . . . . 0.0 112.09 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -87.08 119.06 5.11 Favored Glycine 0 CA--C 1.546 1.998 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -64.54 -23.46 64.24 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.537 2.158 . . . . 0.0 112.713 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -102.62 146.47 28.13 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -129.64 130.49 45.66 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.108 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 48.5 t -97.01 116.61 29.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.485 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 10.48 17.86 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.917 -173.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.69 147.04 44.02 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.451 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -21.85 66.87 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.569 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.1 t -71.65 -36.35 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-O 120.691 0.282 . . . . 0.0 110.873 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 97.2 m -104.33 -82.31 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.051 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.6 t80 58.57 46.81 14.23 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.08 175.82 11.37 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.37 144.68 25.88 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -145.71 147.31 31.8 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.046 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.71 174.15 9.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.871 169.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -42.67 87.24 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.7 0.286 . . . . 0.0 110.935 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.6 p -75.19 -44.04 48.68 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.111 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 39.7 m -63.41 -34.69 78.28 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -65.79 -48.21 72.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.641 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -58.33 -41.77 85.33 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.848 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.59 -45.73 89.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.071 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.28 -48.93 68.82 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.253 -175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -86.33 -1.93 57.96 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.732 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 32.0 t -70.21 -28.45 65.29 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 66.6 mtt -56.09 142.56 36.12 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.203 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.85 131.45 50.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.981 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.61 -8.76 66.35 Favored Glycine 0 CA--C 1.541 1.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.925 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -112.24 11.99 20.28 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 117.034 0.417 . . . . 0.0 111.292 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -66.57 -16.53 64.23 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -86.55 -2.89 58.86 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 111.72 0.266 . . . . 0.0 111.72 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.77 147.42 48.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.023 0.439 . . . . 0.0 111.316 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.7 p -149.12 149.65 30.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.353 0.805 0 C-N-CA 122.787 2.325 . . . . 0.0 112.104 178.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 34.0 t . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.845 0.355 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -68.16 -20.54 64.89 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.756 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.3 mm -82.04 -63.15 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 120.515 0.198 . . . . 0.0 111.045 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.02 -32.53 17.55 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 18.4 p 64.17 6.81 3.11 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 123.189 0.595 . . . . 0.0 112.142 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.3 p -100.18 -14.97 18.29 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.307 0.243 . . . . 0.0 111.373 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -150.16 153.22 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 122.577 0.351 . . . . 0.0 110.161 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.1 142.56 34.52 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.534 2.156 . . . . 0.0 111.977 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -98.12 112.53 4.49 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 111.921 -0.471 . . . . 0.0 111.921 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.81 -16.7 20.58 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.552 2.168 . . . . 0.0 112.548 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -98.36 144.0 28.21 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -134.65 127.07 30.4 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.24 134.14 40.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.36 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -93.21 -10.52 35.42 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.779 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.24 148.39 50.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 120.747 0.308 . . . . 0.0 110.923 -177.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.88 -26.72 68.91 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.93 -36.85 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 120.61 0.243 . . . . 0.0 110.788 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.9 m -105.93 -85.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.6 t80 56.8 51.74 10.45 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-O 121.055 0.455 . . . . 0.0 110.982 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.36 176.13 12.02 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -87.11 147.37 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.5 149.12 35.41 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 13.9 m -89.42 172.24 9.15 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -58.18 -34.2 70.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.605 0.24 . . . . 0.0 111.227 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 8.5 p -80.22 -44.8 19.1 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.017 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.26 -34.82 78.87 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.129 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -65.44 -46.54 79.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.576 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -58.35 -46.66 85.83 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.657 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -59.46 -45.71 90.85 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.143 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -65.69 -48.48 71.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.311 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -91.69 -5.7 53.29 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.68 -32.53 74.14 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.811 0.339 . . . . 0.0 110.505 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.8 mmt -57.87 138.24 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.88 144.16 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.706 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.69 -17.77 58.68 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.49 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.05 14.6 20.77 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -68.21 -14.9 63.33 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.542 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.25 -3.05 59.03 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -74.56 144.43 44.03 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.4 t -149.22 144.47 18.02 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo . . . . . 0 C--N 1.361 1.201 0 C-N-CA 122.619 2.212 . . . . 0.0 112.263 176.697 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.85 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.81 162.13 35.46 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.921 2.414 . . . . 0.0 112.337 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.4 135.46 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -160.19 165.85 30.77 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.715 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.9 pt -94.19 162.78 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.33 150.79 61.36 Favored Pre-proline 0 CA--C 1.554 1.107 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.57 -7.2 17.6 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.943 2.428 . . . . 0.0 112.828 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.66 -8.42 59.7 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.65 0.262 . . . . 0.0 111.261 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 93.7 mt -130.3 -44.29 1.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 59.14 -159.71 0.29 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.593 0.357 . . . . 0.0 110.909 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -92.98 67.59 4.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.509 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 9.9 t -66.48 123.4 19.91 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.758 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 1.6 tt -71.3 138.38 49.29 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.37 114.44 3.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.6 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -76.98 -15.5 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.637 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 41.2 mm -69.37 -54.21 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 120.618 0.247 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.6 p -97.08 -26.94 14.81 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.0 m 66.25 20.57 11.07 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 122.798 0.439 . . . . 0.0 111.283 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 51.0 m -92.67 -46.56 7.52 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.308 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -171.24 164.42 4.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.54 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.5 145.94 97.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.642 2.228 . . . . 0.0 112.136 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.86 152.57 24.93 Favored Glycine 0 CA--C 1.546 2.024 0 C-N-CA 121.439 -0.41 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.56 -23.04 6.22 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.854 2.369 . . . . 0.0 112.567 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -98.03 138.92 34.63 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.656 0.265 . . . . 0.0 110.67 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -112.54 140.93 46.88 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 t -117.03 117.05 28.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -85.65 -10.67 55.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.87 146.79 36.21 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.757 0.313 . . . . 0.0 110.955 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -62.08 -25.99 68.02 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.79 -38.58 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.691 0.281 . . . . 0.0 110.869 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.97 -78.51 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 8.8 t80 58.75 46.62 13.98 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.175 0.512 . . . . 0.0 110.764 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -159.64 168.31 26.35 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -90.32 155.65 18.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.135 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -146.56 147.02 30.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.672 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.66 169.8 15.84 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.219 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -55.89 -48.63 75.28 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.4 p -70.45 -42.57 71.33 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 120.744 0.307 . . . . 0.0 111.077 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 54.4 m -66.21 -35.69 81.11 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.116 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -64.87 -47.81 76.53 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.07 -42.32 90.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.65 -43.66 92.91 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.065 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -66.02 -45.18 82.43 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.36 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -95.6 5.32 51.77 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.9 m -68.8 -35.41 76.97 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.6 137.53 57.89 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.854 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.12 146.23 48.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.42 -25.14 29.2 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.18 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.45 5.28 17.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.665 0.269 . . . . 0.0 111.207 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.92 -6.48 38.75 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -90.11 -3.98 57.59 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 120.569 0.223 . . . . 0.0 111.536 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -73.86 161.8 29.78 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 27.1 t -148.77 138.01 12.34 Favored Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.11 120.41 6.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.4 mt -104.48 169.1 8.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.277 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 157.54 28.4 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.613 172.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -76.09 119.69 20.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 58.97 -160.98 0.27 Allowed 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -85.35 128.61 34.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.712 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -81.78 -12.49 58.52 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -152.83 139.84 19.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -69.61 -31.13 69.08 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.396 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -161.32 142.9 11.68 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.764 0.316 . . . . 0.0 110.765 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 7.8 t -162.01 169.74 20.52 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.731 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 121.071 0.462 . . . . 0.0 110.851 -179.654 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.79 165.24 31.9 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.915 2.41 . . . . 0.0 112.312 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.56 146.28 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.57 15.1 27.54 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.333 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.8 tt -155.92 156.28 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 120.701 0.286 . . . . 0.0 110.399 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -59.09 130.3 86.65 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.603 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -77.28 178.13 8.01 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.754 2.303 . . . . 0.0 112.579 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 54.83 46.64 24.08 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.267 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 510' ' ' LEU . 3.7 mp -69.83 154.92 41.31 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.533 175.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.09 -80.12 0.17 Allowed 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.563 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -169.26 116.41 0.61 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.685 0.278 . . . . 0.0 110.699 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 74.7 m -100.25 133.03 45.25 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.03 140.2 47.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.81 136.29 58.03 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -69.63 -31.39 69.47 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.678 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.9 mm -82.18 -70.28 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.8 p -75.51 -30.49 59.83 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.404 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.3 m 60.07 21.36 10.55 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.532 0.333 . . . . 0.0 111.506 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -10.61 11.76 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.597 0.237 . . . . 0.0 111.52 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.78 157.01 8.92 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 122.335 0.254 . . . . 0.0 110.437 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.95 160.86 30.28 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.693 2.262 . . . . 0.0 112.094 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -113.04 147.62 18.52 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.092 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.42 -23.87 6.94 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.787 2.324 . . . . 0.0 112.466 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -93.95 139.21 31.19 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.816 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.08 134.47 54.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.7 t -103.72 125.61 50.31 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.397 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -86.58 -16.42 36.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.6 144.31 56.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -62.99 -22.07 66.58 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.446 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.93 -37.01 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-O 120.601 0.239 . . . . 0.0 110.826 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.59 -76.71 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 57.35 51.93 9.35 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.873 0.469 . . . . 0.0 111.173 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -162.72 -179.99 7.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -88.64 151.7 22.3 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -146.42 145.08 30.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.3 m -75.1 169.74 17.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.227 171.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -58.66 -49.14 78.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.552 0.215 . . . . 0.0 111.193 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.7 t -70.92 -37.79 72.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.05 -38.3 82.31 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -63.39 -46.28 87.17 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.626 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.33 -41.71 80.51 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.944 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -69.57 -47.15 64.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -58.7 -42.26 88.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.235 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -99.6 15.33 27.0 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.459 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -77.65 -33.72 53.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.855 0.359 . . . . 0.0 110.747 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 63.9 mtt -65.35 141.0 58.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.76 143.58 56.03 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.7 -18.75 56.46 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.507 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.35 9.12 19.8 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.703 0.287 . . . . 0.0 111.206 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -69.03 -13.0 62.19 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.478 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.83 -3.05 58.97 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -74.21 148.71 41.35 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 73.1 m -134.7 137.53 27.73 Favored Pre-proline 0 N--CA 1.483 1.209 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.705 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -83.05 120.6 3.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.704 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.2 mt -91.94 163.72 13.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.738 171.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.5 mmt -92.9 132.25 37.2 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.356 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.29 165.54 20.4 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -65.4 156.73 31.34 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -135.5 172.59 12.79 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.97 153.34 43.87 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.917 0.389 . . . . 0.0 111.076 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -67.92 125.68 27.05 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -124.7 0.73 8.14 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.05 -29.47 19.41 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.775 0.322 . . . . 0.0 110.951 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 84.1 p -151.53 177.09 10.67 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.002 0.43 . . . . 0.0 110.894 -178.811 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.948 0 N-CA-C 112.354 -0.298 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.86 166.8 28.47 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.97 2.446 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 9.4 p -158.93 151.86 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -69.4 -38.0 77.74 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.099 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.1 pt -86.19 51.99 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -103.46 110.63 64.15 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.599 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -82.06 157.33 17.77 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.774 2.316 . . . . 0.0 112.39 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -86.87 34.74 0.67 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 56.7 mt 59.22 -125.37 1.28 Allowed 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.327 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.9 5.79 31.31 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.456 0.169 . . . . 0.0 111.27 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.04 43.57 11.22 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.069 0.462 . . . . 0.0 111.266 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -90.6 144.68 25.53 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.639 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.87 136.76 55.88 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.945 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.23 123.31 20.81 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.534 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.79 -20.57 61.84 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.796 -173.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 45.6 mm -73.6 -62.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-O 120.492 0.187 . . . . 0.0 110.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.31 -28.81 25.02 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.379 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 40.5 p 60.56 18.97 8.85 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 123.03 0.532 . . . . 0.0 111.811 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 72.1 p -115.25 -20.09 10.51 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -152.6 157.15 33.58 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.171 0.189 . . . . 0.0 110.733 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.36 151.87 83.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.551 2.167 . . . . 0.0 112.116 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.58 110.38 3.96 Favored Glycine 0 CA--C 1.545 1.94 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.8 -14.78 39.72 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.479 2.119 . . . . 0.0 112.631 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -105.67 149.6 26.21 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.862 0.363 . . . . 0.0 110.654 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -135.68 130.27 34.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.335 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.25 130.24 44.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -89.81 -3.23 58.24 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.72 149.47 43.74 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.688 0.28 . . . . 0.0 110.966 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -65.37 -26.8 68.17 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.84 -35.71 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.719 0.295 . . . . 0.0 110.823 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.79 -86.57 0.49 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.5 t80 61.92 38.27 14.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.717 0.407 . . . . 0.0 111.128 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -141.4 176.9 8.49 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.94 143.06 27.11 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.65 152.09 43.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 111.208 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.7 m -92.24 173.42 7.83 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.2 69.55 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 49.5 m -72.17 -37.45 69.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.681 0.277 . . . . 0.0 111.16 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.54 -36.62 81.35 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -65.19 -47.8 75.69 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -59.04 -39.89 83.36 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.857 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -65.02 -45.68 84.51 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.061 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -67.11 -48.84 66.92 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.313 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -86.22 -0.38 55.61 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.701 -170.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.4 t -69.45 -30.41 68.31 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.939 0.399 . . . . 0.0 110.524 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -57.12 136.99 56.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.15 139.81 58.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 94.81 -10.13 70.55 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.662 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.1 15.53 20.54 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 116.835 0.317 . . . . 0.0 111.024 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -68.98 -16.4 63.72 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.492 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -87.73 2.11 52.03 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 120.659 0.266 . . . . 0.0 111.651 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -77.64 146.54 36.05 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 120.967 0.413 . . . . 0.0 111.077 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.3 t -149.06 141.64 15.32 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.383 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.36 144.71 23.26 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 112.116 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.39 157.57 31.55 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.141 0.496 . . . . 0.0 111.35 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.2 mmt -69.23 120.62 15.34 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.6 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -82.22 149.96 27.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -92.87 167.8 11.6 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.521 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -94.62 149.29 21.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.382 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -77.34 124.75 28.29 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.711 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -72.89 149.94 43.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.749 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -126.59 140.12 52.67 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.636 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -156.06 140.86 17.11 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 69.4 m -88.84 -30.17 19.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.099 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.072 0.463 . . . . 0.0 110.738 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 112.388 -0.285 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -74.15 161.06 41.57 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.95 2.433 . . . . 0.0 112.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 157.65 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.646 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.78 146.86 35.59 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 44.0 pt -95.39 157.29 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -155.04 127.87 4.16 Favored Pre-proline 0 CA--C 1.555 1.17 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.45 147.99 33.02 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.9 -37.02 8.01 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.17 2.96 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.021 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -90.25 -3.11 58.01 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.284 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -165.69 72.26 0.17 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 61.3 m -96.29 150.12 20.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.089 0.471 . . . . 0.0 111.416 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.98 143.31 47.65 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 47.2 t -60.26 137.62 58.09 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -71.26 -30.84 66.79 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.773 -174.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.47 -66.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.313 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.2 p -81.17 -26.6 35.91 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.438 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.0 m 57.45 23.59 9.25 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.487 0.315 . . . . 0.0 111.652 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 71.1 m -115.15 -6.77 12.47 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.437 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.07 159.21 7.76 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 122.478 0.311 . . . . 0.0 110.343 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.13 149.98 47.15 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.326 2.017 . . . . 0.0 111.823 171.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.04 141.23 15.44 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 -17.74 18.93 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.672 2.248 . . . . 0.0 112.458 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -105.24 140.43 38.4 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.777 0.322 . . . . 0.0 110.7 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.34 132.76 54.96 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.375 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.8 128.27 44.32 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.5 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -0.17 57.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.91 152.04 41.63 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.65 -28.06 68.17 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.22 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.83 -41.78 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 120.66 0.266 . . . . 0.0 110.71 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.36 -83.04 0.46 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 -175.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.07 37.74 14.47 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.747 0.419 . . . . 0.0 111.151 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -140.89 176.48 8.77 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -91.47 150.07 21.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -147.96 146.86 29.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.5 m -81.38 177.17 9.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.222 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -56.93 -57.65 11.6 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.67 0.272 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.2 m -69.96 -33.39 72.04 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.712 0.292 . . . . 0.0 111.043 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.11 -38.74 79.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.011 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -65.13 -45.9 83.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.77 -44.15 86.01 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.811 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.12 -44.88 94.37 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.18 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.13 -48.77 69.74 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.239 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.87 -2.73 58.73 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.741 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 47.8 t -66.23 -31.77 72.79 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 62.5 mtt -59.37 134.47 57.03 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.77 146.88 53.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.972 0.415 . . . . 0.0 110.846 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.0 -17.11 59.96 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.404 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.2 mp -112.25 8.51 19.79 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 122.399 0.28 . . . . 0.0 111.109 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -68.08 -11.32 58.84 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -89.01 -2.34 58.53 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -74.48 162.26 28.99 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 35.7 p -148.73 138.98 13.13 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.809 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -85.03 122.4 2.55 Favored 'Trans proline' 0 C--N 1.359 1.111 0 C-N-CA 122.777 2.318 . . . . 0.0 112.553 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.2 149.77 33.63 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 56.4 mtt -133.69 150.36 51.53 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.879 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -80.41 163.0 24.17 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.43 144.17 57.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -72.74 160.23 32.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -154.24 161.51 41.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -72.26 -42.35 65.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -164.06 -58.17 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -165.07 155.34 13.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 14.4 p -79.44 -23.05 43.39 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.326 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.813 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.844 0 N-CA-C 112.356 -0.297 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -74.73 163.57 35.46 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.965 2.443 . . . . 0.0 112.234 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.73 131.43 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -164.78 164.34 21.13 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.2 tp -158.32 144.64 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 120.875 0.369 . . . . 0.0 110.712 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -84.34 138.9 38.79 Favored Pre-proline 0 CA--C 1.559 1.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.01 51.36 3.91 Favored 'Trans proline' 0 CA--C 1.553 1.474 0 C-N-CA 122.776 2.318 . . . . 0.0 112.7 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -83.86 -3.79 58.18 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.156 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.57 156.71 29.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -176.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 74.59 -56.52 0.63 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.633 0.773 . . . . 0.0 110.995 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -90.13 39.64 0.97 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.168 0.508 . . . . 0.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.5 t -100.18 132.92 45.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.74 143.02 57.19 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.908 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 33.0 t -59.34 131.21 50.29 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.27 -15.9 61.91 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.891 -172.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.73 -64.33 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 120.519 0.199 . . . . 0.0 110.987 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -87.92 -29.61 20.7 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.7 m 61.23 17.68 8.41 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.643 0.377 . . . . 0.0 111.727 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.4 t -104.86 -12.16 16.39 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.45 156.05 12.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.483 0.313 . . . . 0.0 110.297 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.79 138.26 28.59 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.378 2.052 . . . . 0.0 112.159 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.84 124.33 7.23 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.35 -13.41 20.7 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.632 2.221 . . . . 0.0 112.482 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -107.21 140.5 39.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -129.89 131.26 45.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.08 131.55 43.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -92.76 -8.38 43.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.833 -172.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.91 146.04 55.48 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.49 -25.35 68.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.218 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.43 -36.99 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-O 120.645 0.26 . . . . 0.0 110.913 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 90.4 m -105.91 -84.33 0.51 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.047 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.7 t80 60.3 41.49 16.35 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.003 0.43 . . . . 0.0 110.892 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -140.61 169.73 17.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.191 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.5 143.06 26.73 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.633 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -143.6 148.31 35.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 111.289 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.18 178.22 7.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.071 169.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -56.76 -51.9 67.07 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.698 0.285 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 20.2 m -72.22 -37.24 69.25 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.158 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 51.8 m -68.72 -36.38 78.35 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.001 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -65.98 -46.8 76.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.525 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.57 -42.04 82.3 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -66.69 -47.59 71.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.034 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -60.68 -43.92 97.12 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.176 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -93.63 6.62 47.66 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.56 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 14.6 t -70.85 -29.64 65.82 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.966 0.412 . . . . 0.0 110.63 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 19.3 mmt -59.17 141.05 55.19 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -61.55 137.36 58.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.89 -8.79 73.49 Favored Glycine 0 CA--C 1.541 1.712 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.19 8.84 20.02 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.943 0.372 . . . . 0.0 111.282 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.96 -10.43 58.56 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.57 0.224 . . . . 0.0 111.564 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -87.25 -4.1 59.07 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 122.299 0.239 . . . . 0.0 111.592 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -72.45 151.34 42.62 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.937 0.399 . . . . 0.0 111.122 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 33.0 p -149.03 151.91 35.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.98 161.34 33.02 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.229 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.73 169.38 6.47 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 121.044 0.45 . . . . 0.0 111.075 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 42.5 tpp -101.13 126.38 47.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -99.12 106.61 18.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.407 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -163.78 161.86 23.52 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 -177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.97 140.2 47.66 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.476 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -78.54 138.48 38.42 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -70.21 149.17 47.77 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.822 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -147.21 148.94 32.01 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.706 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 8.9 t70 75.64 -55.72 0.61 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 123.488 0.715 . . . . 0.0 111.203 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -14.29 60.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.708 0.29 . . . . 0.0 111.117 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.24 0.564 0 CA-C-O 120.844 0.354 . . . . 0.0 110.763 179.399 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.843 0 N-CA-C 112.376 -0.29 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.47 165.28 30.94 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.963 2.442 . . . . 0.0 112.289 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 128.71 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -87.41 149.09 24.69 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.827 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 8.9 tp -77.82 -24.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.77 152.26 41.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.541 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.46 149.54 80.24 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.586 2.191 . . . . 0.0 112.109 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.4 -8.59 59.62 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.479 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.67 158.17 15.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.573 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -122.51 150.57 42.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.514 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -80.07 64.04 4.77 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -67.5 138.39 56.52 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.83 138.07 57.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 46.4 t -63.46 126.72 28.41 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.92 -15.23 61.14 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.757 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.6 mm -85.91 -61.87 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.461 0.172 . . . . 0.0 111.02 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.1 -26.17 25.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.507 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 m 58.51 24.55 12.02 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.565 0.346 . . . . 0.0 111.577 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 61.6 m -122.64 -16.1 7.32 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -154.32 154.86 30.24 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 122.528 0.331 . . . . 0.0 110.235 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.34 139.74 29.43 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.377 2.051 . . . . 0.0 111.88 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.97 117.29 4.86 Favored Glycine 0 CA--C 1.544 1.86 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -71.13 -20.61 28.32 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.515 2.143 . . . . 0.0 112.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -98.87 143.78 28.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.815 0.34 . . . . 0.0 110.655 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -129.79 132.94 46.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.2 t -104.49 126.98 52.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.198 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -8.81 48.34 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.08 147.63 46.75 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.96 -26.65 68.33 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.198 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.36 -36.39 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 120.64 0.257 . . . . 0.0 110.861 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.4 m -107.0 -82.6 0.54 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.7 t80 58.51 40.54 23.77 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 120.922 0.392 . . . . 0.0 110.937 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -143.65 172.36 12.92 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.11 144.87 25.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -144.12 150.41 38.06 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.919 0.39 . . . . 0.0 111.295 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.6 m -89.6 173.86 8.08 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.953 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.28 -41.49 79.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 16.2 m -77.14 -39.52 48.95 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.775 0.322 . . . . 0.0 111.078 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.99 -34.39 75.22 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.022 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -66.19 -47.12 74.99 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.45 -43.9 88.99 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.775 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.74 -45.04 95.63 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.148 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -67.1 -47.71 70.37 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.247 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -89.06 2.33 54.23 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.73 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.9 m -68.78 -30.33 68.9 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.677 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.31 138.8 57.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.12 147.12 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.7 -13.52 67.26 Favored Glycine 0 CA--C 1.542 1.744 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.577 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.05 15.38 20.64 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.094 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.34 -17.34 64.71 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.497 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -86.63 -2.63 58.67 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -77.88 147.71 34.96 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 120.848 0.356 . . . . 0.0 111.024 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.8 p -148.96 149.2 29.53 Favored Pre-proline 0 CA--C 1.554 1.119 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.53 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -81.31 132.95 8.39 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.593 2.195 . . . . 0.0 112.314 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.9 mt -76.5 153.92 35.07 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.3 mmt -80.46 123.17 27.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -77.34 134.84 38.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.806 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -71.34 146.16 49.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -148.49 145.73 28.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.54 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.01 137.82 57.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -162.88 148.11 11.88 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.644 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -159.52 135.04 8.42 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.645 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.76 139.73 40.52 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.577 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.58 165.39 36.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 120.895 0.378 . . . . 0.0 110.969 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.476 0.866 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 179.877 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.681 0 N-CA-C 112.274 -0.33 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.51 69.93 6.48 Favored 'Trans proline' 0 CA--C 1.548 1.194 0 C-N-CA 122.893 2.396 . . . . 0.0 112.134 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 17.9 t 71.07 121.46 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 C-N-CA 123.382 0.673 . . . . 0.0 110.956 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.19 160.06 26.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.643 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.67 151.29 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.835 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -152.45 127.99 4.98 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -79.33 157.03 25.81 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.812 2.341 . . . . 0.0 112.451 -177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -81.53 -13.48 58.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.382 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 77.4 mt -141.82 125.48 16.88 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.242 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.15 -20.51 32.33 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.528 -176.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -96.67 10.32 38.99 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.082 0.468 . . . . 0.0 111.451 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 8.0 t -102.09 109.59 21.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.225 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -87.54 143.57 27.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.057 0.456 . . . . 0.0 111.358 -172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.99 144.9 48.06 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.957 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.74 -32.89 73.81 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.74 -175.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.87 -65.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.139 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 p -80.59 -33.95 35.58 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.361 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.5 m 63.97 8.56 4.0 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 122.775 0.43 . . . . 0.0 111.768 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 63.4 p -110.46 -11.45 14.49 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.311 0.244 . . . . 0.0 111.284 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -146.94 151.43 41.66 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.343 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.51 146.02 21.33 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.714 2.276 . . . . 0.0 112.307 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -109.4 137.49 14.24 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.34 -20.07 8.63 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.672 2.248 . . . . 0.0 112.779 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -97.91 139.94 33.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.21 135.29 53.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.6 t -106.24 130.53 54.09 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.42 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.88 -17.48 27.98 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.45 146.04 52.52 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.31 -25.82 67.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.207 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 11.5 t -63.84 -31.22 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.953 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 71.0 m -115.05 -80.74 0.6 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.01 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.3 52.46 8.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.008 0.432 . . . . 0.0 111.082 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -165.57 -179.95 5.72 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -89.7 151.72 21.71 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.0 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -146.25 144.32 29.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.8 m -76.62 168.85 19.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.082 170.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -57.79 -46.9 83.95 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.701 0.286 . . . . 0.0 111.097 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.9 p -70.65 -42.29 71.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.767 0.317 . . . . 0.0 111.071 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 85.0 m -66.44 -37.37 85.01 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -64.36 -48.14 76.66 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.647 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.23 -40.12 80.88 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.821 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -66.44 -46.57 76.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.137 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -47.86 70.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.756 0.313 . . . . 0.0 111.096 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -85.52 3.13 41.81 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.583 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.8 t -66.3 -31.96 73.08 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -57.33 137.33 56.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.73 139.16 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.39 -11.04 63.4 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.5 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.98 11.86 20.64 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -70.5 -12.44 61.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.51 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -86.24 -4.36 59.15 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 122.308 0.243 . . . . 0.0 111.649 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -74.34 156.53 37.01 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.87 0.366 . . . . 0.0 110.777 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 56.6 p -148.72 141.93 15.73 Favored Pre-proline 0 CA--C 1.554 1.133 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.825 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.59 120.67 3.2 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.789 2.326 . . . . 0.0 112.496 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.49 154.6 19.89 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 78.2 mtm -147.94 156.25 42.47 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.272 175.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -65.26 145.26 56.45 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.927 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -75.04 -28.97 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -126.63 135.33 51.05 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.275 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -64.77 142.44 58.43 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.895 0.379 . . . . 0.0 111.032 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.45 136.36 42.3 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -138.67 147.46 42.84 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -79.28 161.14 26.5 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 28.1 p -78.56 -16.72 57.11 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.443 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.034 0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.24 162.69 38.08 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.946 2.431 . . . . 0.0 112.286 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.96 156.68 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.653 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -86.38 162.13 18.33 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.39 174.68 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -127.97 156.97 75.27 Favored Pre-proline 0 CA--C 1.554 1.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.659 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.93 155.7 37.25 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -84.3 1.3 45.52 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.491 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -150.74 173.35 14.29 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.735 0.302 . . . . 0.0 111.046 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -134.13 158.7 42.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.29 70.28 10.11 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.083 0.468 . . . . 0.0 110.657 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 66.8 m -69.86 141.32 53.24 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.82 143.62 56.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 28.0 t -56.17 141.75 39.6 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.048 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -64.08 -36.95 85.7 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.76 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.2 -71.27 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -171.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.8 p -76.8 -35.8 57.37 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -172.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 19.8 m 64.08 12.0 6.63 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.747 0.419 . . . . 0.0 111.579 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 42.0 m -91.41 -8.64 47.32 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.649 0.261 . . . . 0.0 111.405 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.79 158.96 11.25 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 122.465 0.306 . . . . 0.0 110.36 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.56 149.18 55.12 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.404 2.07 . . . . 0.0 112.021 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.71 133.32 11.3 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.895 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 -14.35 17.86 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 122.569 2.179 . . . . 0.0 112.525 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -108.04 140.94 40.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.738 0.304 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -125.6 131.43 52.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.244 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.7 t -97.06 133.07 42.21 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -94.11 -4.66 48.89 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.99 149.68 43.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.67 -26.75 68.52 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.07 -36.56 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 120.621 0.248 . . . . 0.0 110.873 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.6 m -107.95 -78.73 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.101 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.7 t80 56.39 48.57 16.7 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.07 0.462 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -157.48 178.24 10.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -91.74 150.12 21.27 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -147.26 149.5 33.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -78.68 174.44 11.4 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.264 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -56.33 -56.9 15.34 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.742 0.306 . . . . 0.0 111.124 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.4 m -69.97 -33.65 72.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.136 -176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.08 -39.17 79.21 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -63.82 -46.74 83.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.653 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.32 -43.56 88.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.822 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -64.96 -44.29 89.89 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.977 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -64.19 -47.55 79.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -91.46 3.47 54.89 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.5 m -74.14 -29.85 62.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.63 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.76 137.03 56.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.25 135.24 57.67 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.765 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.61 -14.51 60.54 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.654 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.24 12.65 20.37 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.841 0.32 . . . . 0.0 111.17 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -70.12 -12.32 61.52 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.508 0.194 . . . . 0.0 111.452 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -91.3 2.95 56.01 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 122.428 0.291 . . . . 0.0 111.704 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -78.77 149.96 32.52 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -145.0 145.42 27.26 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.95 137.21 10.86 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.686 2.257 . . . . 0.0 112.161 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.33 158.38 35.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.154 0.502 . . . . 0.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 14.2 tpt -152.11 147.21 26.19 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.52 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.14 129.62 40.72 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.672 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -78.45 129.04 34.45 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -90.19 92.5 8.97 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -70.13 -39.83 75.19 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -77.48 140.7 39.85 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.42 -42.05 88.31 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -156.4 152.77 27.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 37.9 m -160.95 161.55 31.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.925 0.393 . . . . 0.0 110.688 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 121.014 0.435 . . . . 0.0 110.934 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.893 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.57 161.55 39.59 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.921 2.414 . . . . 0.0 112.264 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.9 m -79.49 152.95 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -161.84 166.62 26.09 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 7.9 tp -107.08 135.34 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.291 173.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -104.65 150.29 38.41 Favored Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.703 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.13 -17.97 13.1 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.74 2.293 . . . . 0.0 112.675 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 60.56 22.28 12.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.747 0.419 . . . . 0.0 111.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 32.6 tp -79.42 125.84 30.06 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.579 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -164.52 -35.16 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -156.76 46.38 0.42 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.225 0.536 . . . . 0.0 110.363 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 61.8 m -78.59 147.86 33.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.331 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.93 139.91 57.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.89 117.52 13.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 174.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -70.56 -23.33 62.59 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.706 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.62 -56.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-O 120.678 0.275 . . . . 0.0 110.814 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 p -91.5 -33.59 15.13 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.36 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.36 17.84 10.76 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 122.7 0.4 . . . . 0.0 111.473 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.3 p -113.2 -16.96 12.46 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -166.98 156.2 9.62 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 120.508 0.194 . . . . 0.0 110.815 -174.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.92 150.43 34.33 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.635 2.223 . . . . 0.0 112.062 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.86 132.65 11.37 Favored Glycine 0 CA--C 1.546 2.017 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.19 -21.55 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.74 2.293 . . . . 0.0 112.58 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.98 139.92 31.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -113.96 134.91 54.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.7 t -101.1 129.57 47.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -93.52 -5.97 47.85 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.63 149.99 43.43 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -64.25 -26.94 68.73 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.235 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 31.6 t -65.39 -36.81 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.656 0.265 . . . . 0.0 110.915 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.79 -76.08 0.62 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.4 t80 56.54 47.34 18.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.779 0.432 . . . . 0.0 111.128 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -162.12 -179.97 7.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -90.59 152.2 20.99 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.37 152.53 38.33 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.676 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.5 m -81.67 173.4 12.37 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.34 -51.08 71.33 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.702 0.286 . . . . 0.0 111.157 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.6 m -70.7 -36.74 73.42 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 47.5 m -69.68 -39.08 77.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -63.25 -46.54 86.39 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.628 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -56.72 -46.06 81.52 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.3 -45.12 92.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.09 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -65.86 -46.85 76.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.37 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -91.48 -3.41 56.62 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 9.2 m -66.87 -31.79 72.62 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.2 mmt -58.01 136.0 57.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.71 137.91 58.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.675 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.53 -18.58 53.09 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.596 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.28 7.32 19.31 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.861 0.331 . . . . 0.0 111.239 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.93 -4.6 33.13 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -92.92 1.04 57.5 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 122.415 0.286 . . . . 0.0 111.502 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -78.15 162.72 26.42 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 24.5 t -148.77 135.92 10.7 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.96 120.54 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.597 -176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.24 156.88 17.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.4 ptp -97.43 152.22 19.17 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.772 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -70.25 146.23 50.8 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.651 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.9 146.22 54.99 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.258 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -152.69 136.55 16.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.239 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -147.17 13.94 1.12 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -157.21 159.27 37.52 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.648 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -152.7 144.26 23.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.39 152.33 45.07 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 19.5 p -83.68 155.68 23.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.017 0.437 . . . . 0.0 110.897 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.876 0 N-CA-C 112.387 -0.285 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.43 163.29 36.52 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.887 2.392 . . . . 0.0 112.259 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 10.3 p -160.44 152.32 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -153.54 154.27 33.97 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 54.9 mt 72.61 -56.94 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 123.436 0.694 . . . . 0.0 110.955 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -78.33 126.81 82.64 Favored Pre-proline 0 CA--C 1.557 1.241 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.534 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.62 141.75 22.45 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.574 2.182 . . . . 0.0 112.249 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -86.83 -3.19 59.04 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.369 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.43 -49.29 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.891 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 70.55 164.91 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 123.102 0.561 . . . . 0.0 111.109 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.69 121.13 11.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 46.7 t -100.14 134.52 42.95 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.036 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.79 140.77 34.02 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.226 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.23 122.94 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.748 0.309 . . . . 0.0 110.733 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -69.69 -24.21 63.55 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.741 -172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.0 mm -81.41 -64.26 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.118 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.18 -29.69 21.57 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.5 m 62.11 20.17 11.43 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.654 0.382 . . . . 0.0 111.399 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.7 m -97.61 -23.22 16.08 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -170.82 156.65 5.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.584 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.18 143.75 40.49 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.527 2.152 . . . . 0.0 111.892 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -95.25 156.0 21.57 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.317 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.9 -26.14 6.96 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.843 2.362 . . . . 0.0 112.597 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -91.42 140.02 30.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.729 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -122.74 133.11 54.49 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.493 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.1 t -104.37 123.21 47.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.578 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -84.22 -12.83 54.15 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.51 146.77 47.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.694 0.283 . . . . 0.0 110.97 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.53 -23.38 67.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.96 -34.96 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 120.661 0.267 . . . . 0.0 110.705 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.17 -83.98 0.55 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -175.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 61.74 36.88 16.1 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.856 0.462 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -141.69 172.62 12.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -90.11 157.23 17.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -149.43 147.26 28.04 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.961 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -73.41 168.26 19.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.298 171.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -57.78 -47.22 83.16 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.204 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -73.33 -40.54 64.38 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.791 0.329 . . . . 0.0 111.04 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.27 -37.83 86.39 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.08 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -63.0 -47.54 82.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.64 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -57.61 -41.32 81.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.857 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -68.37 -45.76 71.88 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -40.68 92.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.289 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -92.79 2.61 56.66 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.554 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -31.28 70.45 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.95 0.405 . . . . 0.0 110.642 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 20.3 mmt -57.5 138.99 54.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.4 142.24 58.49 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.63 -14.77 63.76 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.1 11.96 20.48 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -67.98 -13.58 62.29 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.475 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -88.25 -2.46 58.62 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -75.39 143.77 42.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.2 m -146.02 143.89 20.53 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.73 136.04 8.17 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.7 2.266 . . . . 0.0 112.262 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.1 145.1 42.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.09 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 13.5 tpt -84.82 120.29 26.28 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.413 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -131.31 138.22 49.14 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -162.27 145.49 11.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.699 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -93.08 129.81 38.92 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -89.19 -29.57 19.2 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.09 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.44 171.99 13.28 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -67.07 -26.78 66.9 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.151 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -154.1 163.71 39.66 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 60.7 m -103.44 143.27 32.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 121.002 0.429 . . . . 0.0 110.9 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.895 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -74.98 162.19 37.59 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.974 2.45 . . . . 0.0 112.328 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.09 153.8 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -140.25 149.81 43.32 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.2 pt -82.57 -11.17 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -153.97 128.02 4.53 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.241 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.59 154.96 40.15 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.726 2.284 . . . . 0.0 112.455 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -80.37 -9.05 59.74 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.349 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.23 150.17 33.5 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.93 0.395 . . . . 0.0 110.895 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -138.1 173.43 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.256 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -78.7 66.85 4.3 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.16 0.505 . . . . 0.0 110.882 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 8.7 t -70.84 136.9 49.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.003 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.95 143.1 54.51 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.95 125.76 25.47 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.2 -33.62 75.76 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.768 -173.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.2 mm -73.12 -58.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.185 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.8 p -91.54 -24.78 19.51 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.5 m 59.43 25.12 13.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 122.555 0.342 . . . . 0.0 111.284 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.0 t -98.39 -39.6 8.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.241 -176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -172.09 157.66 4.09 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.402 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.13 134.78 37.96 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.442 2.095 . . . . 0.0 111.798 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -79.57 156.47 40.89 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.224 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.32 -22.04 11.31 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.858 2.372 . . . . 0.0 112.511 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -98.91 139.53 34.44 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.558 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -118.13 131.34 56.42 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.383 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 40.8 t -97.07 123.95 40.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.53 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 2.46 56.62 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.64 151.4 43.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -65.45 -28.02 68.93 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.26 -41.29 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 120.59 0.233 . . . . 0.0 110.818 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 86.9 m -101.08 -79.21 0.51 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.183 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 58.53 48.06 12.52 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.143 0.497 . . . . 0.0 110.775 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -157.67 172.22 18.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -91.26 153.45 19.96 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.3 147.01 28.83 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.99 174.3 10.79 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 174.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.56 -48.1 75.32 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.668 0.27 . . . . 0.0 111.196 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.1 p -74.5 -40.89 61.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.692 0.282 . . . . 0.0 111.077 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.11 -35.87 81.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -66.3 -46.06 78.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -58.41 -43.23 88.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -65.61 -45.9 81.36 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.115 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -62.01 -45.16 94.85 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -94.44 1.8 55.77 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -171.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 34.1 t -69.01 -32.07 71.34 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 58.2 ttm -58.63 135.74 57.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.72 137.87 57.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.761 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.24 59.69 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.646 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.3 mp -112.23 6.72 19.14 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 116.81 0.305 . . . . 0.0 111.256 177.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -71.0 -8.23 51.84 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -89.06 -3.33 58.71 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -72.38 158.31 36.01 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.999 0.428 . . . . 0.0 111.097 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 52.8 p -148.9 144.15 17.87 Favored Pre-proline 0 CA--C 1.553 1.063 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.41 135.08 6.95 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.823 2.349 . . . . 0.0 112.315 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.83 156.34 39.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 111.181 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.61 155.17 27.0 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.817 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.88 150.16 48.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -66.63 -28.57 68.59 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -153.72 143.29 21.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.337 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.02 146.18 25.61 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.936 0.398 . . . . 0.0 110.886 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -72.76 159.12 34.31 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.42 148.16 45.46 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.71 -28.23 45.06 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 15.8 t -156.09 152.1 27.58 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.25 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -177.264 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.906 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.83 163.22 36.04 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.953 2.435 . . . . 0.0 112.378 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.75 140.83 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.63 147.58 27.49 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.21 138.47 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.422 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.43 149.81 97.13 Favored Pre-proline 0 CA--C 1.552 1.025 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.78 -30.24 68.76 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.631 2.221 . . . . 0.0 112.429 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -68.47 -18.92 64.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.57 0.62 20.9 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.18 -43.07 10.67 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -160.88 96.17 1.11 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.597 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 4.2 t -100.34 135.24 42.08 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.26 136.73 42.67 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.375 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.57 125.72 24.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.58 -26.84 64.66 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.695 -173.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 29.7 mm -77.11 -63.94 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.057 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.92 -27.15 26.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.515 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.1 m 58.31 21.43 8.25 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.58 0.352 . . . . 0.0 111.656 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.5 m -116.61 -9.17 11.4 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.521 -175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.88 158.51 7.84 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 122.334 0.253 . . . . 0.0 110.552 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.61 155.9 44.83 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.13 . . . . 0.0 111.832 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.64 144.46 16.42 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 -21.9 12.64 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.748 2.298 . . . . 0.0 112.539 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -102.4 139.44 38.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 110.753 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -117.23 136.51 53.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.02 127.83 43.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -91.37 3.26 55.35 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.101 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.8 150.82 32.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 111.052 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -60.92 -29.31 69.52 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.09 -37.1 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.081 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.4 m -104.6 -80.0 0.54 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.517 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.2 57.98 6.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.623 -171.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -158.13 154.6 27.72 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.912 -173.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -81.42 144.97 31.03 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -144.57 146.96 32.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.853 0.359 . . . . 0.0 111.116 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.15 171.25 14.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.224 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -48.17 82.67 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 120.771 0.32 . . . . 0.0 111.047 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -40.93 72.14 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.59 -38.71 87.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.017 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -62.62 -46.08 89.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.694 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -58.51 -46.03 87.55 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.23 -42.47 98.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -47.31 62.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -91.13 -8.28 49.21 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 40.7 t -62.85 -32.59 73.86 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.633 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 60.5 mtt -57.46 134.59 56.2 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.33 144.59 50.25 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 97.89 -21.7 44.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.484 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.34 7.1 19.13 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.818 0.309 . . . . 0.0 111.26 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.19 -4.3 28.51 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -175.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -93.09 1.72 57.08 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 122.391 0.276 . . . . 0.0 111.483 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -77.76 158.38 29.61 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 13.1 m -143.52 140.66 17.75 Favored Pre-proline 0 N--CA 1.481 1.109 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.47 128.03 6.01 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.805 2.337 . . . . 0.0 112.071 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.89 152.13 40.27 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.272 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.5 mmt -129.55 138.31 51.25 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.532 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -78.14 150.98 33.53 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -81.97 140.72 33.83 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -76.29 -31.6 58.33 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.786 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -90.31 144.56 25.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.891 0.376 . . . . 0.0 110.789 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -82.92 159.23 22.35 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -75.43 146.41 40.75 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.419 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -153.53 146.47 24.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 9.3 t -164.56 164.48 21.68 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.641 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 59.0 p . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 179.172 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.885 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -73.87 159.75 44.54 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.916 2.41 . . . . 0.0 112.331 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 14.9 p -162.28 148.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -138.35 144.72 40.46 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 44.4 pt -80.82 -17.67 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.087 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -157.47 78.62 3.6 Favored Pre-proline 0 CA--C 1.555 1.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.74 159.52 42.11 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.8 2.333 . . . . 0.0 112.277 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -81.19 -8.32 59.73 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.53 147.41 25.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.67 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -103.65 151.97 22.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.95 48.56 1.37 Allowed 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 70.7 m -79.91 127.27 32.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.86 143.73 50.95 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 26.2 t -57.24 138.85 54.2 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.812 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.06 -32.27 73.63 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 42.6 mm -82.79 -64.3 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.223 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.61 -29.74 27.49 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.531 -172.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 36.6 m 59.3 18.51 6.73 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 122.518 0.327 . . . . 0.0 111.7 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 66.3 m -113.01 -5.76 13.77 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 120.586 0.231 . . . . 0.0 111.366 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.85 155.1 10.73 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 122.496 0.319 . . . . 0.0 110.238 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.13 137.46 23.86 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.53 2.153 . . . . 0.0 112.08 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -90.75 127.99 9.08 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.65 -23.44 14.6 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.598 2.199 . . . . 0.0 112.701 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -93.13 143.63 26.06 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.796 0.332 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -127.88 131.42 49.43 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.2 131.03 44.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -90.11 -2.38 58.08 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.48 149.03 40.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.61 -23.91 66.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.401 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.68 -37.05 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 120.698 0.285 . . . . 0.0 110.779 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.42 -84.41 0.5 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 1.7 t80 60.1 35.06 21.28 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.743 0.417 . . . . 0.0 111.255 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -140.86 176.84 8.47 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -88.23 146.73 25.19 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -145.16 150.85 37.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.0 m -85.52 175.84 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.204 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -58.97 -53.93 52.86 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.1 m -71.57 -33.88 69.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.39 -40.33 77.43 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.877 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -61.95 -45.84 91.9 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.625 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -57.47 -45.92 84.27 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.787 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.93 -45.04 95.44 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.096 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.59 78.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.148 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -90.02 -4.57 57.34 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -171.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.8 -32.55 74.14 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.812 0.339 . . . . 0.0 110.598 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.2 mmt -57.66 136.1 56.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.18 143.35 55.71 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.14 -15.68 62.49 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.598 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.07 14.71 20.75 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -69.35 -13.22 62.26 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.485 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -88.62 1.66 54.59 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 122.341 0.256 . . . . 0.0 111.665 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -79.92 147.28 31.71 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 120.879 0.371 . . . . 0.0 111.201 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 81.1 p -149.15 150.13 31.24 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.56 160.91 16.91 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.923 2.415 . . . . 0.0 112.082 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.55 156.76 39.05 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.686 176.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 78.3 mtm -145.89 140.7 27.19 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.676 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 -86.59 131.67 34.1 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.616 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.86 146.12 33.82 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.663 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -67.58 147.55 52.6 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 63.1 mttp 59.8 19.3 8.13 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.796 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -74.0 131.43 41.38 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 120.669 0.271 . . . . 0.0 110.726 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -117.51 -47.12 2.65 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -91.98 138.28 31.67 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 40.4 m -75.18 -22.03 58.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.219 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 179.323 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.854 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.79 165.26 31.87 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.95 2.433 . . . . 0.0 112.296 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.48 149.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.58 -37.51 56.4 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 37.3 mm -125.46 140.68 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.543 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -151.99 147.77 20.41 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.636 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -76.54 145.42 26.36 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.68 2.253 . . . . 0.0 112.257 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -84.52 -3.84 58.63 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.331 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.69 119.48 17.98 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.48 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -94.11 -50.63 5.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -161.35 96.77 1.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 75.1 m -100.09 150.15 22.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.087 0.47 . . . . 0.0 111.212 -175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.09 143.06 50.77 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.494 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 48.4 t -63.71 133.0 52.78 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -71.43 -28.43 63.97 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.649 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.26 -65.6 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.032 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.5 p -81.69 -29.42 33.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.496 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.4 m 59.42 25.86 14.67 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.587 0.355 . . . . 0.0 111.422 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.8 p -132.4 -0.59 3.6 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.524 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -160.48 140.59 8.43 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.42 136.45 23.96 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.398 2.065 . . . . 0.0 111.834 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.71 128.6 8.99 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.087 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.38 -15.8 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 176.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -104.44 144.88 31.06 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-O 120.736 0.303 . . . . 0.0 110.704 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -130.42 132.44 45.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.141 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 125.93 42.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -88.01 -0.4 56.97 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.32 151.66 39.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.04 -24.62 66.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.94 -37.42 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.618 0.247 . . . . 0.0 110.683 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 76.3 m -105.88 -83.16 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.076 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.4 t80 59.89 39.2 20.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -140.15 171.59 13.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -90.17 145.25 25.17 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.665 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -144.91 146.02 31.82 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.274 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -81.32 175.53 10.51 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.141 169.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.16 -51.72 68.53 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 15.4 m -71.62 -35.05 70.33 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.778 0.323 . . . . 0.0 111.064 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.2 m -70.54 -35.7 73.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.59 -44.72 85.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.496 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -58.15 -41.77 84.46 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.909 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -68.0 -47.4 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.955 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -57.39 -43.06 83.32 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.175 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -98.01 11.97 35.81 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.393 -175.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -69.02 -33.93 74.42 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 64.6 mtt -66.61 145.27 55.78 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.83 156.32 36.6 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.25 -13.42 67.66 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.155 -175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.11 18.64 19.19 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.745 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -62.97 -20.52 65.34 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.529 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -88.49 3.55 49.79 Favored 'General case' 0 CA--C 1.566 1.583 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.798 -175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -81.32 142.08 33.41 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.901 0.382 . . . . 0.0 111.096 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 49.5 m -148.37 148.29 28.36 Favored Pre-proline 0 N--CA 1.476 0.826 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.05 159.45 30.44 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.641 2.227 . . . . 0.0 112.013 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.06 30.86 0.57 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.148 0.499 . . . . 0.0 111.261 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 49.2 tpp -80.47 127.02 31.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.6 118.29 29.93 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 58.32 -159.94 0.27 Allowed 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -144.61 -8.65 0.65 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.265 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -72.44 162.02 30.03 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.46 134.43 48.93 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.226 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 54.05 70.54 0.59 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.012 0.434 . . . . 0.0 110.731 -176.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.63 -12.68 61.67 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.359 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 24.2 p -79.61 1.74 25.02 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 122.403 0.281 . . . . 0.0 111.445 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.141 0.496 . . . . 0.0 111.054 179.435 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.902 0 N-CA-C 112.382 -0.287 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.75 164.67 33.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.931 2.421 . . . . 0.0 112.26 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 13.4 p -69.98 143.79 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -154.65 123.99 6.43 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.34 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.5 pt -91.34 -18.26 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.364 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -160.5 136.6 6.19 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.444 0.298 . . . . 0.0 110.452 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.11 130.08 16.03 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.65 2.233 . . . . 0.0 112.075 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -83.34 -11.37 57.75 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.529 -176.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 66.5 mt 51.89 -135.26 1.51 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.708 0.403 . . . . 0.0 110.829 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -160.69 162.12 32.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.98 73.33 9.13 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.994 0.426 . . . . 0.0 110.725 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 71.5 m -69.19 137.37 53.21 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.89 143.59 56.76 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.58 143.7 34.7 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.172 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -67.79 -38.04 82.83 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.726 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.58 -67.56 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.094 -172.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.9 p -84.48 -38.76 19.71 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.397 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 17.3 m 62.01 19.39 10.74 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 122.654 0.382 . . . . 0.0 111.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 14.9 m -97.37 -4.22 38.85 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.669 0.271 . . . . 0.0 111.156 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -167.28 145.03 3.97 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.183 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.04 140.09 87.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.478 2.119 . . . . 0.0 112.11 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.48 126.97 8.67 Favored Glycine 0 CA--C 1.546 1.993 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.54 -20.7 23.24 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.579 2.186 . . . . 0.0 112.439 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -101.64 142.04 33.58 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -126.4 130.56 50.96 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 43.0 t -97.11 129.91 44.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -3.33 56.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.76 145.63 46.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -64.06 -22.84 67.1 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 33.7 t -68.11 -38.19 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 120.667 0.27 . . . . 0.0 110.774 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.7 m -105.65 -78.57 0.57 Allowed 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.936 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.5 t80 57.5 48.47 14.43 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 122.78 0.432 . . . . 0.0 111.097 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -158.81 177.84 10.74 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.95 149.23 21.96 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.52 149.71 34.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 9.8 m -80.74 173.79 12.26 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.22 170.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -59.75 -47.81 84.2 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -72.88 -39.75 66.16 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.7 0.286 . . . . 0.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.7 m -67.18 -35.42 79.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.01 -46.88 79.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.64 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.06 -41.27 83.01 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.879 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.93 -47.3 72.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.965 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.5 -44.75 93.04 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.263 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -94.03 9.42 37.7 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.487 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 20.6 t -73.0 -31.81 64.74 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.54 139.0 57.52 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.89 140.55 58.88 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.66 -10.65 68.7 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.599 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.08 11.1 20.42 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 116.844 0.322 . . . . 0.0 111.036 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.41 -15.2 63.54 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.582 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -85.9 -3.61 58.96 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -73.03 147.65 44.87 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.5 m -144.81 145.76 29.08 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.479 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.81 141.07 13.27 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.741 2.294 . . . . 0.0 112.225 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.47 165.48 25.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 111.488 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 11.3 tpt -133.01 162.93 30.38 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.469 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -54.67 134.79 47.28 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.806 0.336 . . . . 0.0 110.926 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -70.87 -47.27 60.14 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -175.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -77.49 138.36 39.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -134.88 -14.43 2.11 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -91.75 155.43 18.27 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.787 0.327 . . . . 0.0 110.784 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -158.73 133.22 8.02 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.567 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.03 -48.67 20.04 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 10.9 t -163.88 157.18 18.45 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.852 0.358 . . . . 0.0 110.689 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.974 0.416 . . . . 0.0 110.797 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.863 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.4 165.75 30.1 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.939 2.426 . . . . 0.0 112.268 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 83.9 t -74.66 128.72 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -141.53 162.84 34.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.62 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.7 pt -116.7 167.98 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -143.88 149.01 44.69 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.795 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.37 162.95 33.02 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.91 2.407 . . . . 0.0 112.363 -178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -75.96 -7.7 55.22 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.497 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.84 131.49 24.06 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.331 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.06 2.38 55.28 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -87.78 -164.04 1.04 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -177.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 47.8 m -63.89 150.17 45.51 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.363 0.602 . . . . 0.0 112.075 -170.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.31 143.63 44.88 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.659 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.5 t -58.53 137.21 57.55 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.794 0.331 . . . . 0.0 110.841 177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.78 -33.36 64.2 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.709 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.2 -67.85 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.229 -172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.48 -28.19 46.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 42.6 m 57.03 24.82 10.0 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 122.49 0.316 . . . . 0.0 111.518 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.0 m -119.04 -6.56 10.46 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.413 -175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -168.02 160.24 9.47 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 122.463 0.305 . . . . 0.0 110.387 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.66 153.57 76.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.571 2.181 . . . . 0.0 112.374 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -100.28 109.46 3.71 Favored Glycine 0 CA--C 1.546 1.975 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.03 -15.72 47.54 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 122.604 2.203 . . . . 0.0 112.588 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -110.14 144.75 38.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.859 0.361 . . . . 0.0 110.717 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -130.27 133.16 46.29 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.097 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.17 130.05 44.46 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -90.72 -1.45 57.86 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.34 151.65 41.19 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.846 0.355 . . . . 0.0 111.084 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -31.08 70.99 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.216 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.81 -40.96 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.863 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.5 m -98.51 -86.26 0.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.925 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.6 t80 62.72 37.98 12.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.789 0.436 . . . . 0.0 111.093 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -141.22 177.35 8.15 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.068 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -92.85 143.5 26.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.4 150.85 38.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.176 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 14.8 m -87.43 176.8 7.33 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.11 -44.83 92.01 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.127 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.8 p -73.79 -42.02 61.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.67 -35.16 79.98 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -65.18 -46.15 81.98 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.65 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -58.5 -40.93 84.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.925 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -67.73 -47.36 69.54 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.059 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.86 -43.79 90.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.288 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -96.03 11.42 34.13 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.473 -174.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -73.49 -32.31 64.21 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.842 0.353 . . . . 0.0 110.709 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -62.82 141.0 58.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.71 143.84 57.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.19 -11.23 69.36 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.626 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mp -112.11 13.25 20.6 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.707 0.289 . . . . 0.0 110.994 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -68.4 -14.66 63.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.586 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -87.99 1.89 53.08 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 122.341 0.256 . . . . 0.0 111.69 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -78.86 150.51 32.2 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.915 0.388 . . . . 0.0 111.144 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 80.1 p -149.1 149.77 30.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.12 160.88 20.57 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.814 2.343 . . . . 0.0 112.215 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.2 32.91 0.44 Allowed 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.086 0.469 . . . . 0.0 111.244 178.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.56 126.94 29.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.744 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -86.44 135.22 33.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -69.16 -32.72 72.24 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 58.32 45.49 16.92 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.044 0.45 . . . . 0.0 110.998 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.44 139.3 58.75 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.62 159.93 33.56 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.046 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -70.84 134.74 47.58 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.492 175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.59 -45.31 9.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 97.5 p -168.49 175.96 6.0 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.478 0.957 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.67 177.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.903 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.38 161.89 39.36 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.014 2.476 . . . . 0.0 112.269 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.2 t -136.63 126.33 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -81.46 -37.87 27.3 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.3 tt -162.27 149.79 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.499 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -138.07 113.62 9.01 Favored Pre-proline 0 CA--C 1.554 1.123 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.62 -8.45 14.76 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.794 2.329 . . . . 0.0 112.668 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 66.24 9.5 6.4 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.602 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 88.8 mt -138.56 137.34 36.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.553 0.341 . . . . 0.0 110.42 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -166.61 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.588 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.0 45.85 1.13 Allowed 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 41.1 m -88.93 121.45 31.3 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.506 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.86 142.67 57.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.896 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.29 124.52 22.43 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.266 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -69.72 -17.51 63.46 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.792 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.82 -58.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 120.564 0.221 . . . . 0.0 110.853 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.56 -31.94 13.67 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.607 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.3 m 63.62 14.25 7.97 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 122.933 0.493 . . . . 0.0 111.796 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.5 p -105.34 -11.22 16.57 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 120.609 0.242 . . . . 0.0 111.497 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -168.21 156.46 8.05 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.45 -174.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -75.38 144.65 29.27 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.525 2.15 . . . . 0.0 112.178 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -94.55 121.09 6.62 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.09 -23.51 12.0 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.607 2.205 . . . . 0.0 112.708 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.18 143.68 26.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.712 0.292 . . . . 0.0 110.782 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -125.36 132.72 52.76 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 53.8 t -97.17 134.97 39.79 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.565 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -94.69 -4.13 48.07 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.41 148.56 39.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.751 0.31 . . . . 0.0 110.797 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.6 -23.03 66.73 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.468 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.34 -36.16 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 120.646 0.26 . . . . 0.0 110.808 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.35 -76.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.117 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.5 t80 53.15 49.23 20.43 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 121.005 0.431 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 176.53 12.06 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.079 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -87.72 148.4 24.77 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -146.35 151.37 37.38 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.7 m -86.25 171.8 10.97 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.979 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -57.86 -45.97 85.51 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.686 0.279 . . . . 0.0 110.954 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 9.7 p -69.99 -44.25 69.78 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 42.3 m -65.61 -36.23 83.11 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.059 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -64.61 -49.16 72.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.632 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.55 -42.0 91.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.73 177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -63.22 -43.02 99.26 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.168 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -73.68 -47.65 38.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.695 0.283 . . . . 0.0 111.553 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.16 -11.06 53.57 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -169.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.7 t -67.73 -30.84 70.42 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -52.66 133.94 36.18 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.37 133.57 55.85 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.88 -19.72 48.55 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.493 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.41 5.65 18.24 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 116.899 0.35 . . . . 0.0 111.355 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -70.52 -4.58 23.6 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -93.94 0.15 55.92 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 122.421 0.288 . . . . 0.0 111.624 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -76.27 154.27 35.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.931 0.396 . . . . 0.0 111.201 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 78.1 p -149.08 150.32 31.87 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -80.81 161.02 21.45 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.707 2.272 . . . . 0.0 112.042 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.8 169.57 16.73 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -137.18 145.41 43.7 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -77.81 140.86 39.45 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.631 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -152.68 124.36 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -144.92 146.52 32.03 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.43 -13.12 55.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -60.34 132.68 54.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 110.797 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.6 mmt-85 -78.39 153.16 31.82 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -75.24 -32.83 61.24 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 21.7 p -85.99 156.51 20.42 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.955 0.407 . . . . 0.0 110.987 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 121.051 0.453 . . . . 0.0 110.878 -179.707 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.859 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.87 164.24 33.91 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 122.973 2.448 . . . . 0.0 112.323 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.56 152.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -82.13 117.32 22.2 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 8.7 tp -163.45 151.38 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.502 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.02 144.77 90.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.679 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.17 -15.98 28.55 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.691 2.261 . . . . 0.0 112.538 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -86.45 -2.63 58.61 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.327 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.04 168.51 15.22 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -158.72 158.06 32.96 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.315 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.08 53.15 1.38 Allowed 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.176 0.513 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 67.8 m -82.43 122.85 28.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.993 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.96 143.1 39.71 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.52 117.29 10.08 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.404 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -71.72 -15.07 62.19 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.885 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 38.2 mm -76.35 -57.42 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-O 120.608 0.242 . . . . 0.0 110.797 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.35 -29.18 17.25 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.456 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.2 m 61.34 23.6 13.82 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.748 0.419 . . . . 0.0 111.601 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.7 p -120.3 -25.76 5.59 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -152.02 154.29 32.41 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 122.405 0.282 . . . . 0.0 110.48 -175.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.64 144.82 28.65 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.74 131.4 10.53 Favored Glycine 0 CA--C 1.546 2.025 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.029 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.52 -23.18 8.72 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.738 2.292 . . . . 0.0 112.537 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -97.81 140.87 31.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.658 0.266 . . . . 0.0 110.661 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -117.45 135.25 54.04 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.61 126.86 47.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.427 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -3.62 57.12 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -173.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -71.57 148.58 46.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.02 -23.56 66.58 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.367 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 43.4 t -68.35 -40.14 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 120.637 0.256 . . . . 0.0 110.742 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.88 -76.14 0.6 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.8 t80 55.76 49.02 17.05 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.941 0.401 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.15 176.76 11.57 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -94.14 147.75 22.86 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -146.51 147.48 31.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.943 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.03 176.26 9.9 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.275 171.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.88 -52.45 65.45 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.674 0.273 . . . . 0.0 111.186 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.5 m -70.83 -35.91 72.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.55 -36.58 76.47 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -65.27 -46.12 81.75 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.497 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -57.22 -45.34 83.95 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.803 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.48 -44.94 92.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.04 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -63.17 -43.93 96.87 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.318 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -95.87 5.02 52.28 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -171.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.5 m -69.0 -31.1 69.68 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.829 0.347 . . . . 0.0 110.7 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.1 ttt -58.02 131.38 50.3 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.08 138.05 58.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.83 58.42 Favored Glycine 0 CA--C 1.537 1.465 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.403 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.14 10.2 20.23 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -68.68 -12.16 61.06 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -87.68 -1.99 58.32 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -76.32 154.74 34.8 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 51.0 m -143.24 139.25 16.41 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.635 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.0 120.73 3.44 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.74 2.293 . . . . 0.0 112.451 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.0 mt -78.34 150.0 33.33 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 173.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 54.5 mtt -138.01 146.16 42.75 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.879 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -73.46 152.73 40.64 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -76.94 -31.08 56.38 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -81.34 116.91 21.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.43 -29.97 61.72 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -159.14 157.81 31.64 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.771 0.319 . . . . 0.0 110.656 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -63.96 -22.09 66.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.9 -32.01 72.36 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.599 0.238 . . . . 0.0 111.429 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 63.2 p -97.05 7.95 45.54 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.575 0.226 . . . . 0.0 111.386 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.042 0.449 . . . . 0.0 110.795 178.38 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.95 0 N-CA-C 112.357 -0.297 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.73 163.14 36.38 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.86 2.373 . . . . 0.0 112.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.12 126.02 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.416 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -142.42 153.85 44.08 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.453 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.1 tt -159.35 149.64 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -155.87 130.75 5.14 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.16 124.63 9.18 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.588 2.192 . . . . 0.0 112.124 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -92.43 -1.88 56.69 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.33 127.08 32.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.741 0.305 . . . . 0.0 110.644 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.54 12.64 34.57 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.784 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -87.89 -161.74 0.75 Allowed 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -176.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 62.7 m -63.44 147.1 52.18 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.346 0.593 . . . . 0.0 111.746 -170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.9 143.33 34.36 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.66 118.28 10.72 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.332 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -73.47 -19.04 61.05 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.739 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 33.8 mm -71.39 -59.51 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.618 0.247 . . . . 0.0 110.84 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.78 -27.66 18.75 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.448 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 50.5 m 58.72 22.44 10.0 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.716 0.406 . . . . 0.0 111.528 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.8 m -117.86 -10.58 10.43 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.594 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -169.26 156.11 6.52 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 122.315 0.246 . . . . 0.0 110.486 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.63 140.27 35.64 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.605 2.203 . . . . 0.0 112.09 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -87.08 119.06 5.11 Favored Glycine 0 CA--C 1.546 1.998 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -64.54 -23.46 64.24 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.537 2.158 . . . . 0.0 112.713 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -102.62 146.47 28.13 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -129.64 130.49 45.66 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.108 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 48.5 t -97.01 116.61 29.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.485 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 10.48 17.86 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.917 -173.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.69 147.04 44.02 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.451 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -21.85 66.87 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.569 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.1 t -71.65 -36.35 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-O 120.691 0.282 . . . . 0.0 110.873 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 97.2 m -104.33 -82.31 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.051 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.6 t80 58.57 46.81 14.23 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.08 175.82 11.37 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.37 144.68 25.88 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -145.71 147.31 31.8 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.046 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.71 174.15 9.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.871 169.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -42.67 87.24 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.7 0.286 . . . . 0.0 110.935 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.6 p -75.19 -44.04 48.68 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.111 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 39.7 m -63.41 -34.69 78.28 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -65.79 -48.21 72.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.641 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -58.33 -41.77 85.33 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.848 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.59 -45.73 89.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.071 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.28 -48.93 68.82 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.253 -175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -86.33 -1.93 57.96 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.732 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 32.0 t -70.21 -28.45 65.29 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 66.6 mtt -56.09 142.56 36.12 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.203 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.85 131.45 50.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.981 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.61 -8.76 66.35 Favored Glycine 0 CA--C 1.541 1.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.925 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -112.24 11.99 20.28 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 117.034 0.417 . . . . 0.0 111.292 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -66.57 -16.53 64.23 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -86.55 -2.89 58.86 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 111.72 0.266 . . . . 0.0 111.72 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.77 147.42 48.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.023 0.439 . . . . 0.0 111.316 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.7 p -149.12 149.65 30.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.53 161.09 37.69 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.787 2.325 . . . . 0.0 112.104 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.37 160.13 25.38 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 120.968 0.413 . . . . 0.0 110.911 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 39.0 tpp -152.03 144.87 24.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -76.97 163.43 26.71 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -159.03 -50.52 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.771 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 63.2 30.06 15.94 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.349 173.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -162.66 174.08 13.03 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 120.933 0.397 . . . . 0.0 110.935 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -151.75 140.06 20.41 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -145.04 152.92 40.88 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.634 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.56 154.93 38.39 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 32.3 m -69.28 -22.04 63.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.365 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 120.882 0.372 . . . . 0.0 110.688 -179.734 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.926 0 N-CA-C 112.376 -0.289 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -74.04 161.28 41.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.891 2.394 . . . . 0.0 112.259 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 31.0 m -88.27 39.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.797 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -161.3 138.29 8.71 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.535 -175.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.2 tt -92.46 142.75 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.443 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -104.29 112.11 65.35 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -81.31 -1.44 11.09 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.869 2.38 . . . . 0.0 112.662 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 63.88 24.23 13.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.824 0.45 . . . . 0.0 111.126 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 89.7 mt -135.86 153.37 51.5 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -146.89 116.42 7.09 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 51.59 39.5 25.07 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.4 m -87.26 150.42 23.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 143.24 57.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.703 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.5 130.46 46.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -68.16 -20.54 64.89 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.756 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.3 mm -82.04 -63.15 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 120.515 0.198 . . . . 0.0 111.045 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.02 -32.53 17.55 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 18.4 p 64.17 6.81 3.11 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 123.189 0.595 . . . . 0.0 112.142 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.3 p -100.18 -14.97 18.29 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.307 0.243 . . . . 0.0 111.373 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -150.16 153.22 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 122.577 0.351 . . . . 0.0 110.161 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.1 142.56 34.52 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.534 2.156 . . . . 0.0 111.977 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -98.12 112.53 4.49 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 111.921 -0.471 . . . . 0.0 111.921 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.81 -16.7 20.58 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.552 2.168 . . . . 0.0 112.548 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -98.36 144.0 28.21 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -134.65 127.07 30.4 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.24 134.14 40.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.36 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -93.21 -10.52 35.42 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.779 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.24 148.39 50.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 120.747 0.308 . . . . 0.0 110.923 -177.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.88 -26.72 68.91 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.93 -36.85 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 120.61 0.243 . . . . 0.0 110.788 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.9 m -105.93 -85.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.6 t80 56.8 51.74 10.45 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-O 121.055 0.455 . . . . 0.0 110.982 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.36 176.13 12.02 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -87.11 147.37 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.5 149.12 35.41 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 13.9 m -89.42 172.24 9.15 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -58.18 -34.2 70.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.605 0.24 . . . . 0.0 111.227 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 8.5 p -80.22 -44.8 19.1 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.017 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.26 -34.82 78.87 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.129 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -65.44 -46.54 79.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.576 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -58.35 -46.66 85.83 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.657 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -59.46 -45.71 90.85 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.143 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -65.69 -48.48 71.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.311 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -91.69 -5.7 53.29 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.68 -32.53 74.14 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.811 0.339 . . . . 0.0 110.505 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.8 mmt -57.87 138.24 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.88 144.16 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.706 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.69 -17.77 58.68 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.49 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.05 14.6 20.77 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -68.21 -14.9 63.33 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.542 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.25 -3.05 59.03 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -74.56 144.43 44.03 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.4 t -149.22 144.47 18.02 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.0 160.93 23.95 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.619 2.212 . . . . 0.0 112.263 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.42 156.77 33.71 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.922 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 63.5 mtt -145.81 153.02 40.44 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -71.27 133.01 45.75 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.471 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -80.38 130.12 34.96 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.78 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 60.93 -166.65 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -130.19 158.0 40.91 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -68.05 135.62 52.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 19.5 ttm105 -78.48 148.96 33.28 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.727 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.07 -33.06 65.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.059 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 32.5 p -104.5 156.28 18.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.979 0.419 . . . . 0.0 111.019 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.116 0.484 . . . . 0.0 110.922 179.361 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 120.701 0.286 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -76.98 -15.5 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.637 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 41.2 mm -69.37 -54.21 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 120.618 0.247 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.6 p -97.08 -26.94 14.81 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.0 m 66.25 20.57 11.07 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 122.798 0.439 . . . . 0.0 111.283 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 51.0 m -92.67 -46.56 7.52 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.308 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -171.24 164.42 4.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.54 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.5 145.94 97.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.642 2.228 . . . . 0.0 112.136 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.86 152.57 24.93 Favored Glycine 0 CA--C 1.546 2.024 0 C-N-CA 121.439 -0.41 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.56 -23.04 6.22 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.854 2.369 . . . . 0.0 112.567 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -98.03 138.92 34.63 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.656 0.265 . . . . 0.0 110.67 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -112.54 140.93 46.88 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 t -117.03 117.05 28.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -85.65 -10.67 55.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.87 146.79 36.21 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.757 0.313 . . . . 0.0 110.955 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -62.08 -25.99 68.02 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.79 -38.58 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.691 0.281 . . . . 0.0 110.869 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.97 -78.51 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 8.8 t80 58.75 46.62 13.98 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.175 0.512 . . . . 0.0 110.764 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -159.64 168.31 26.35 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -90.32 155.65 18.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.135 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -146.56 147.02 30.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.672 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.66 169.8 15.84 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.219 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -55.89 -48.63 75.28 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.4 p -70.45 -42.57 71.33 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 120.744 0.307 . . . . 0.0 111.077 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 54.4 m -66.21 -35.69 81.11 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.116 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -64.87 -47.81 76.53 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.07 -42.32 90.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.65 -43.66 92.91 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.065 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -66.02 -45.18 82.43 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.36 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -95.6 5.32 51.77 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.9 m -68.8 -35.41 76.97 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.6 137.53 57.89 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.854 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.12 146.23 48.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.42 -25.14 29.2 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.18 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.45 5.28 17.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.665 0.269 . . . . 0.0 111.207 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.92 -6.48 38.75 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -90.11 -3.98 57.59 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 120.569 0.223 . . . . 0.0 111.536 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -73.86 161.8 29.78 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 27.1 t -148.77 138.01 12.34 Favored Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.361 1.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 -176.277 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -69.63 -31.39 69.47 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.678 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.9 mm -82.18 -70.28 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.8 p -75.51 -30.49 59.83 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.404 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.3 m 60.07 21.36 10.55 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.532 0.333 . . . . 0.0 111.506 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -10.61 11.76 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.597 0.237 . . . . 0.0 111.52 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.78 157.01 8.92 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 122.335 0.254 . . . . 0.0 110.437 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.95 160.86 30.28 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.693 2.262 . . . . 0.0 112.094 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -113.04 147.62 18.52 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.092 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.42 -23.87 6.94 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.787 2.324 . . . . 0.0 112.466 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -93.95 139.21 31.19 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.816 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.08 134.47 54.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.7 t -103.72 125.61 50.31 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.397 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -86.58 -16.42 36.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.6 144.31 56.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -62.99 -22.07 66.58 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.446 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.93 -37.01 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-O 120.601 0.239 . . . . 0.0 110.826 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.59 -76.71 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 57.35 51.93 9.35 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.873 0.469 . . . . 0.0 111.173 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -162.72 -179.99 7.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -88.64 151.7 22.3 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -146.42 145.08 30.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.3 m -75.1 169.74 17.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.227 171.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -58.66 -49.14 78.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.552 0.215 . . . . 0.0 111.193 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.7 t -70.92 -37.79 72.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.05 -38.3 82.31 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -63.39 -46.28 87.17 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.626 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.33 -41.71 80.51 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.944 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -69.57 -47.15 64.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -58.7 -42.26 88.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.235 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -99.6 15.33 27.0 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.459 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -77.65 -33.72 53.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.855 0.359 . . . . 0.0 110.747 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 63.9 mtt -65.35 141.0 58.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.76 143.58 56.03 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.7 -18.75 56.46 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.507 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.35 9.12 19.8 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.703 0.287 . . . . 0.0 111.206 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -69.03 -13.0 62.19 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.478 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.83 -3.05 58.97 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -74.21 148.71 41.35 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 73.1 m -134.7 137.53 27.73 Favored Pre-proline 0 N--CA 1.483 1.209 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.705 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 C--N 1.359 1.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.704 -175.639 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 120.741 0.305 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.79 -20.57 61.84 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.796 -173.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 45.6 mm -73.6 -62.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-O 120.492 0.187 . . . . 0.0 110.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.31 -28.81 25.02 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.379 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 40.5 p 60.56 18.97 8.85 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 123.03 0.532 . . . . 0.0 111.811 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 72.1 p -115.25 -20.09 10.51 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -152.6 157.15 33.58 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.171 0.189 . . . . 0.0 110.733 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.36 151.87 83.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.551 2.167 . . . . 0.0 112.116 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.58 110.38 3.96 Favored Glycine 0 CA--C 1.545 1.94 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.8 -14.78 39.72 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.479 2.119 . . . . 0.0 112.631 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -105.67 149.6 26.21 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.862 0.363 . . . . 0.0 110.654 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -135.68 130.27 34.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.335 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.25 130.24 44.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -89.81 -3.23 58.24 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.72 149.47 43.74 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.688 0.28 . . . . 0.0 110.966 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -65.37 -26.8 68.17 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.84 -35.71 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.719 0.295 . . . . 0.0 110.823 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.79 -86.57 0.49 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.5 t80 61.92 38.27 14.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.717 0.407 . . . . 0.0 111.128 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -141.4 176.9 8.49 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.94 143.06 27.11 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.65 152.09 43.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 111.208 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.7 m -92.24 173.42 7.83 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.2 69.55 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 49.5 m -72.17 -37.45 69.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.681 0.277 . . . . 0.0 111.16 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.54 -36.62 81.35 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -65.19 -47.8 75.69 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -59.04 -39.89 83.36 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.857 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -65.02 -45.68 84.51 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.061 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -67.11 -48.84 66.92 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.313 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -86.22 -0.38 55.61 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.701 -170.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.4 t -69.45 -30.41 68.31 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.939 0.399 . . . . 0.0 110.524 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -57.12 136.99 56.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.15 139.81 58.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 94.81 -10.13 70.55 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.662 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.1 15.53 20.54 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 116.835 0.317 . . . . 0.0 111.024 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -68.98 -16.4 63.72 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.492 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -87.73 2.11 52.03 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 120.659 0.266 . . . . 0.0 111.651 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -77.64 146.54 36.05 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 120.967 0.413 . . . . 0.0 111.077 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.3 t -149.06 141.64 15.32 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.383 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo . . . . . 0 C--N 1.357 0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 112.116 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -71.26 -30.84 66.79 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.773 -174.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.47 -66.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.313 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.2 p -81.17 -26.6 35.91 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.438 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.0 m 57.45 23.59 9.25 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.487 0.315 . . . . 0.0 111.652 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 71.1 m -115.15 -6.77 12.47 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.437 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.07 159.21 7.76 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 122.478 0.311 . . . . 0.0 110.343 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.13 149.98 47.15 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.326 2.017 . . . . 0.0 111.823 171.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.04 141.23 15.44 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 -17.74 18.93 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.672 2.248 . . . . 0.0 112.458 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -105.24 140.43 38.4 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.777 0.322 . . . . 0.0 110.7 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.34 132.76 54.96 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.375 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.8 128.27 44.32 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.5 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -0.17 57.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.91 152.04 41.63 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.65 -28.06 68.17 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.22 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.83 -41.78 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 120.66 0.266 . . . . 0.0 110.71 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.36 -83.04 0.46 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 -175.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.07 37.74 14.47 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.747 0.419 . . . . 0.0 111.151 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -140.89 176.48 8.77 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -91.47 150.07 21.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -147.96 146.86 29.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.5 m -81.38 177.17 9.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.222 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -56.93 -57.65 11.6 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.67 0.272 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.2 m -69.96 -33.39 72.04 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.712 0.292 . . . . 0.0 111.043 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.11 -38.74 79.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.011 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -65.13 -45.9 83.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.77 -44.15 86.01 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.811 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.12 -44.88 94.37 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.18 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.13 -48.77 69.74 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.239 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.87 -2.73 58.73 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.741 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 47.8 t -66.23 -31.77 72.79 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 62.5 mtt -59.37 134.47 57.03 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.77 146.88 53.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.972 0.415 . . . . 0.0 110.846 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.0 -17.11 59.96 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.404 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.2 mp -112.25 8.51 19.79 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 122.399 0.28 . . . . 0.0 111.109 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -68.08 -11.32 58.84 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -89.01 -2.34 58.53 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -74.48 162.26 28.99 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 35.7 p -148.73 138.98 13.13 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.809 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo . . . . . 0 C--N 1.359 1.111 0 C-N-CA 122.777 2.318 . . . . 0.0 112.553 -176.617 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 CA--C 1.538 0.507 0 CA-C-O 120.668 0.27 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.27 -15.9 61.91 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.891 -172.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.73 -64.33 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 120.519 0.199 . . . . 0.0 110.987 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -87.92 -29.61 20.7 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.7 m 61.23 17.68 8.41 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.643 0.377 . . . . 0.0 111.727 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.4 t -104.86 -12.16 16.39 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.45 156.05 12.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.483 0.313 . . . . 0.0 110.297 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.79 138.26 28.59 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.378 2.052 . . . . 0.0 112.159 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.84 124.33 7.23 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.35 -13.41 20.7 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.632 2.221 . . . . 0.0 112.482 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -107.21 140.5 39.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -129.89 131.26 45.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.08 131.55 43.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -92.76 -8.38 43.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.833 -172.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.91 146.04 55.48 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.49 -25.35 68.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.218 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.43 -36.99 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-O 120.645 0.26 . . . . 0.0 110.913 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 90.4 m -105.91 -84.33 0.51 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.047 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.7 t80 60.3 41.49 16.35 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.003 0.43 . . . . 0.0 110.892 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -140.61 169.73 17.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.191 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.5 143.06 26.73 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.633 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -143.6 148.31 35.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 111.289 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.18 178.22 7.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.071 169.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -56.76 -51.9 67.07 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.698 0.285 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 20.2 m -72.22 -37.24 69.25 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.158 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 51.8 m -68.72 -36.38 78.35 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.001 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -65.98 -46.8 76.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.525 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.57 -42.04 82.3 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -66.69 -47.59 71.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.034 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -60.68 -43.92 97.12 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.176 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -93.63 6.62 47.66 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.56 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 14.6 t -70.85 -29.64 65.82 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.966 0.412 . . . . 0.0 110.63 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 19.3 mmt -59.17 141.05 55.19 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -61.55 137.36 58.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.89 -8.79 73.49 Favored Glycine 0 CA--C 1.541 1.712 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.19 8.84 20.02 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.943 0.372 . . . . 0.0 111.282 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.96 -10.43 58.56 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.57 0.224 . . . . 0.0 111.564 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -87.25 -4.1 59.07 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 122.299 0.239 . . . . 0.0 111.592 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -72.45 151.34 42.62 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.937 0.399 . . . . 0.0 111.122 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 33.0 p -149.03 151.91 35.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--N 1.354 0.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.229 179.711 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.852 0.358 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.92 -15.23 61.14 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.757 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.6 mm -85.91 -61.87 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.461 0.172 . . . . 0.0 111.02 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.1 -26.17 25.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.507 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 m 58.51 24.55 12.02 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.565 0.346 . . . . 0.0 111.577 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 61.6 m -122.64 -16.1 7.32 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -154.32 154.86 30.24 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 122.528 0.331 . . . . 0.0 110.235 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.34 139.74 29.43 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.377 2.051 . . . . 0.0 111.88 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.97 117.29 4.86 Favored Glycine 0 CA--C 1.544 1.86 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -71.13 -20.61 28.32 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.515 2.143 . . . . 0.0 112.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -98.87 143.78 28.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.815 0.34 . . . . 0.0 110.655 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -129.79 132.94 46.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.2 t -104.49 126.98 52.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.198 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -8.81 48.34 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.08 147.63 46.75 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.96 -26.65 68.33 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.198 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.36 -36.39 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 120.64 0.257 . . . . 0.0 110.861 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.4 m -107.0 -82.6 0.54 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.7 t80 58.51 40.54 23.77 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 120.922 0.392 . . . . 0.0 110.937 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -143.65 172.36 12.92 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.11 144.87 25.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -144.12 150.41 38.06 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.919 0.39 . . . . 0.0 111.295 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.6 m -89.6 173.86 8.08 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.953 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.28 -41.49 79.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 16.2 m -77.14 -39.52 48.95 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.775 0.322 . . . . 0.0 111.078 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.99 -34.39 75.22 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.022 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -66.19 -47.12 74.99 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.45 -43.9 88.99 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.775 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.74 -45.04 95.63 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.148 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -67.1 -47.71 70.37 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.247 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -89.06 2.33 54.23 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.73 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.9 m -68.78 -30.33 68.9 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.677 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.31 138.8 57.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.12 147.12 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.7 -13.52 67.26 Favored Glycine 0 CA--C 1.542 1.744 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.577 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.05 15.38 20.64 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.094 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.34 -17.34 64.71 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.497 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -86.63 -2.63 58.67 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -77.88 147.71 34.96 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 120.848 0.356 . . . . 0.0 111.024 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.8 p -148.96 149.2 29.53 Favored Pre-proline 0 CA--C 1.554 1.119 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.53 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 C--N 1.355 0.869 0 C-N-CA 122.593 2.195 . . . . 0.0 112.314 -176.161 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 120.899 0.38 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.74 -32.89 73.81 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.74 -175.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.87 -65.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.139 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 p -80.59 -33.95 35.58 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.361 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.5 m 63.97 8.56 4.0 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 122.775 0.43 . . . . 0.0 111.768 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 63.4 p -110.46 -11.45 14.49 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.311 0.244 . . . . 0.0 111.284 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -146.94 151.43 41.66 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.343 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.51 146.02 21.33 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.714 2.276 . . . . 0.0 112.307 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -109.4 137.49 14.24 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.34 -20.07 8.63 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.672 2.248 . . . . 0.0 112.779 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -97.91 139.94 33.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.21 135.29 53.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.6 t -106.24 130.53 54.09 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.42 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.88 -17.48 27.98 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.45 146.04 52.52 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.31 -25.82 67.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.207 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 11.5 t -63.84 -31.22 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.953 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 71.0 m -115.05 -80.74 0.6 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.01 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.3 52.46 8.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.008 0.432 . . . . 0.0 111.082 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -165.57 -179.95 5.72 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -89.7 151.72 21.71 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.0 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -146.25 144.32 29.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.8 m -76.62 168.85 19.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.082 170.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -57.79 -46.9 83.95 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.701 0.286 . . . . 0.0 111.097 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.9 p -70.65 -42.29 71.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.767 0.317 . . . . 0.0 111.071 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 85.0 m -66.44 -37.37 85.01 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -64.36 -48.14 76.66 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.647 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.23 -40.12 80.88 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.821 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -66.44 -46.57 76.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.137 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -47.86 70.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.756 0.313 . . . . 0.0 111.096 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -85.52 3.13 41.81 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.583 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.8 t -66.3 -31.96 73.08 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -57.33 137.33 56.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.73 139.16 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.39 -11.04 63.4 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.5 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.98 11.86 20.64 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -70.5 -12.44 61.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.51 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -86.24 -4.36 59.15 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 122.308 0.243 . . . . 0.0 111.649 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -74.34 156.53 37.01 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.87 0.366 . . . . 0.0 110.777 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 56.6 p -148.72 141.93 15.73 Favored Pre-proline 0 CA--C 1.554 1.133 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.825 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo . . . . . 0 C--N 1.359 1.105 0 C-N-CA 122.789 2.326 . . . . 0.0 112.496 -176.182 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 28.0 t . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 120.835 0.35 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -64.08 -36.95 85.7 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.76 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.2 -71.27 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -171.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.8 p -76.8 -35.8 57.37 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -172.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 19.8 m 64.08 12.0 6.63 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.747 0.419 . . . . 0.0 111.579 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 42.0 m -91.41 -8.64 47.32 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.649 0.261 . . . . 0.0 111.405 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.79 158.96 11.25 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 122.465 0.306 . . . . 0.0 110.36 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.56 149.18 55.12 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.404 2.07 . . . . 0.0 112.021 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.71 133.32 11.3 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.895 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 -14.35 17.86 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 122.569 2.179 . . . . 0.0 112.525 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -108.04 140.94 40.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.738 0.304 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -125.6 131.43 52.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.244 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.7 t -97.06 133.07 42.21 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -94.11 -4.66 48.89 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.99 149.68 43.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.67 -26.75 68.52 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.07 -36.56 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 120.621 0.248 . . . . 0.0 110.873 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.6 m -107.95 -78.73 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.101 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.7 t80 56.39 48.57 16.7 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.07 0.462 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -157.48 178.24 10.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -91.74 150.12 21.27 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -147.26 149.5 33.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -78.68 174.44 11.4 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.264 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -56.33 -56.9 15.34 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.742 0.306 . . . . 0.0 111.124 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.4 m -69.97 -33.65 72.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.136 -176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.08 -39.17 79.21 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -63.82 -46.74 83.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.653 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.32 -43.56 88.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.822 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -64.96 -44.29 89.89 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.977 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -64.19 -47.55 79.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -91.46 3.47 54.89 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.5 m -74.14 -29.85 62.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.63 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.76 137.03 56.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.25 135.24 57.67 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.765 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.61 -14.51 60.54 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.654 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.24 12.65 20.37 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.841 0.32 . . . . 0.0 111.17 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -70.12 -12.32 61.52 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.508 0.194 . . . . 0.0 111.452 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -91.3 2.95 56.01 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 122.428 0.291 . . . . 0.0 111.704 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -78.77 149.96 32.52 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -145.0 145.42 27.26 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 C--N 1.356 0.966 0 C-N-CA 122.686 2.257 . . . . 0.0 112.161 179.626 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 50.5 t . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 120.635 0.255 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -70.56 -23.33 62.59 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.706 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.62 -56.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-O 120.678 0.275 . . . . 0.0 110.814 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 p -91.5 -33.59 15.13 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.36 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.36 17.84 10.76 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 122.7 0.4 . . . . 0.0 111.473 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.3 p -113.2 -16.96 12.46 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -166.98 156.2 9.62 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 120.508 0.194 . . . . 0.0 110.815 -174.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.92 150.43 34.33 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.635 2.223 . . . . 0.0 112.062 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.86 132.65 11.37 Favored Glycine 0 CA--C 1.546 2.017 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.19 -21.55 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.74 2.293 . . . . 0.0 112.58 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.98 139.92 31.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -113.96 134.91 54.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.7 t -101.1 129.57 47.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -93.52 -5.97 47.85 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.63 149.99 43.43 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -64.25 -26.94 68.73 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.235 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 31.6 t -65.39 -36.81 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.656 0.265 . . . . 0.0 110.915 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.79 -76.08 0.62 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.4 t80 56.54 47.34 18.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.779 0.432 . . . . 0.0 111.128 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -162.12 -179.97 7.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -90.59 152.2 20.99 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.37 152.53 38.33 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.676 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.5 m -81.67 173.4 12.37 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.34 -51.08 71.33 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.702 0.286 . . . . 0.0 111.157 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.6 m -70.7 -36.74 73.42 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 47.5 m -69.68 -39.08 77.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -63.25 -46.54 86.39 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.628 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -56.72 -46.06 81.52 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.3 -45.12 92.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.09 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -65.86 -46.85 76.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.37 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -91.48 -3.41 56.62 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 9.2 m -66.87 -31.79 72.62 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.2 mmt -58.01 136.0 57.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.71 137.91 58.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.675 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.53 -18.58 53.09 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.596 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.28 7.32 19.31 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.861 0.331 . . . . 0.0 111.239 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.93 -4.6 33.13 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -92.92 1.04 57.5 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 122.415 0.286 . . . . 0.0 111.502 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -78.15 162.72 26.42 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 24.5 t -148.77 135.92 10.7 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 C--N 1.36 1.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.597 -176.128 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.748 0.309 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -69.69 -24.21 63.55 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.741 -172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.0 mm -81.41 -64.26 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.118 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.18 -29.69 21.57 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.5 m 62.11 20.17 11.43 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.654 0.382 . . . . 0.0 111.399 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.7 m -97.61 -23.22 16.08 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -170.82 156.65 5.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.584 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.18 143.75 40.49 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.527 2.152 . . . . 0.0 111.892 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -95.25 156.0 21.57 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.317 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.9 -26.14 6.96 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.843 2.362 . . . . 0.0 112.597 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -91.42 140.02 30.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.729 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -122.74 133.11 54.49 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.493 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.1 t -104.37 123.21 47.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.578 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -84.22 -12.83 54.15 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.51 146.77 47.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.694 0.283 . . . . 0.0 110.97 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.53 -23.38 67.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.96 -34.96 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 120.661 0.267 . . . . 0.0 110.705 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.17 -83.98 0.55 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -175.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 61.74 36.88 16.1 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.856 0.462 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -141.69 172.62 12.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -90.11 157.23 17.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -149.43 147.26 28.04 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.961 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -73.41 168.26 19.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.298 171.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -57.78 -47.22 83.16 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.204 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -73.33 -40.54 64.38 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.791 0.329 . . . . 0.0 111.04 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.27 -37.83 86.39 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.08 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -63.0 -47.54 82.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.64 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -57.61 -41.32 81.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.857 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -68.37 -45.76 71.88 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -40.68 92.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.289 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -92.79 2.61 56.66 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.554 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -31.28 70.45 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.95 0.405 . . . . 0.0 110.642 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 20.3 mmt -57.5 138.99 54.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.4 142.24 58.49 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.63 -14.77 63.76 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.1 11.96 20.48 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -67.98 -13.58 62.29 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.475 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -88.25 -2.46 58.62 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -75.39 143.77 42.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.2 m -146.02 143.89 20.53 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo . . . . . 0 C--N 1.355 0.904 0 C-N-CA 122.7 2.266 . . . . 0.0 112.262 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 120.8 0.333 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.2 -33.62 75.76 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.768 -173.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.2 mm -73.12 -58.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.185 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.8 p -91.54 -24.78 19.51 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.5 m 59.43 25.12 13.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 122.555 0.342 . . . . 0.0 111.284 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.0 t -98.39 -39.6 8.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.241 -176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -172.09 157.66 4.09 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.402 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.13 134.78 37.96 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.442 2.095 . . . . 0.0 111.798 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -79.57 156.47 40.89 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.224 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.32 -22.04 11.31 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.858 2.372 . . . . 0.0 112.511 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -98.91 139.53 34.44 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.558 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -118.13 131.34 56.42 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.383 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 40.8 t -97.07 123.95 40.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.53 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 2.46 56.62 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.64 151.4 43.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -65.45 -28.02 68.93 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.26 -41.29 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 120.59 0.233 . . . . 0.0 110.818 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 86.9 m -101.08 -79.21 0.51 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.183 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 58.53 48.06 12.52 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.143 0.497 . . . . 0.0 110.775 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -157.67 172.22 18.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -91.26 153.45 19.96 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.3 147.01 28.83 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.99 174.3 10.79 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 174.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.56 -48.1 75.32 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.668 0.27 . . . . 0.0 111.196 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.1 p -74.5 -40.89 61.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.692 0.282 . . . . 0.0 111.077 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.11 -35.87 81.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -66.3 -46.06 78.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -58.41 -43.23 88.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -65.61 -45.9 81.36 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.115 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -62.01 -45.16 94.85 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -94.44 1.8 55.77 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -171.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 34.1 t -69.01 -32.07 71.34 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 58.2 ttm -58.63 135.74 57.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.72 137.87 57.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.761 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.24 59.69 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.646 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.3 mp -112.23 6.72 19.14 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 116.81 0.305 . . . . 0.0 111.256 177.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -71.0 -8.23 51.84 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -89.06 -3.33 58.71 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -72.38 158.31 36.01 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.999 0.428 . . . . 0.0 111.097 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 52.8 p -148.9 144.15 17.87 Favored Pre-proline 0 CA--C 1.553 1.063 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo . . . . . 0 C--N 1.357 1.02 0 C-N-CA 122.823 2.349 . . . . 0.0 112.315 -178.404 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.58 -26.84 64.66 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.695 -173.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 29.7 mm -77.11 -63.94 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.057 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.92 -27.15 26.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.515 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.1 m 58.31 21.43 8.25 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.58 0.352 . . . . 0.0 111.656 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.5 m -116.61 -9.17 11.4 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.521 -175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.88 158.51 7.84 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 122.334 0.253 . . . . 0.0 110.552 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.61 155.9 44.83 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.13 . . . . 0.0 111.832 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.64 144.46 16.42 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 -21.9 12.64 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.748 2.298 . . . . 0.0 112.539 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -102.4 139.44 38.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 110.753 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -117.23 136.51 53.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.02 127.83 43.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -91.37 3.26 55.35 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.101 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.8 150.82 32.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 111.052 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -60.92 -29.31 69.52 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.09 -37.1 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.081 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.4 m -104.6 -80.0 0.54 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.517 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.2 57.98 6.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.623 -171.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -158.13 154.6 27.72 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.912 -173.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -81.42 144.97 31.03 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -144.57 146.96 32.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.853 0.359 . . . . 0.0 111.116 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.15 171.25 14.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.224 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -48.17 82.67 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 120.771 0.32 . . . . 0.0 111.047 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -40.93 72.14 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.59 -38.71 87.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.017 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -62.62 -46.08 89.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.694 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -58.51 -46.03 87.55 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.23 -42.47 98.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -47.31 62.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -91.13 -8.28 49.21 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 40.7 t -62.85 -32.59 73.86 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.633 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 60.5 mtt -57.46 134.59 56.2 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.33 144.59 50.25 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 97.89 -21.7 44.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.484 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.34 7.1 19.13 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.818 0.309 . . . . 0.0 111.26 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.19 -4.3 28.51 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -175.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -93.09 1.72 57.08 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 122.391 0.276 . . . . 0.0 111.483 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -77.76 158.38 29.61 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 13.1 m -143.52 140.66 17.75 Favored Pre-proline 0 N--CA 1.481 1.109 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo . . . . . 0 C--N 1.357 0.987 0 C-N-CA 122.805 2.337 . . . . 0.0 112.071 177.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 120.774 0.321 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.06 -32.27 73.63 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 42.6 mm -82.79 -64.3 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.223 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.61 -29.74 27.49 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.531 -172.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 36.6 m 59.3 18.51 6.73 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 122.518 0.327 . . . . 0.0 111.7 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 66.3 m -113.01 -5.76 13.77 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 120.586 0.231 . . . . 0.0 111.366 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.85 155.1 10.73 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 122.496 0.319 . . . . 0.0 110.238 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.13 137.46 23.86 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.53 2.153 . . . . 0.0 112.08 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -90.75 127.99 9.08 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.65 -23.44 14.6 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.598 2.199 . . . . 0.0 112.701 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -93.13 143.63 26.06 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.796 0.332 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -127.88 131.42 49.43 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.2 131.03 44.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -90.11 -2.38 58.08 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.48 149.03 40.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.61 -23.91 66.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.401 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.68 -37.05 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 120.698 0.285 . . . . 0.0 110.779 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.42 -84.41 0.5 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 1.7 t80 60.1 35.06 21.28 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.743 0.417 . . . . 0.0 111.255 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -140.86 176.84 8.47 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -88.23 146.73 25.19 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -145.16 150.85 37.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.0 m -85.52 175.84 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.204 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -58.97 -53.93 52.86 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.1 m -71.57 -33.88 69.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.39 -40.33 77.43 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.877 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -61.95 -45.84 91.9 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.625 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -57.47 -45.92 84.27 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.787 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.93 -45.04 95.44 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.096 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.59 78.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.148 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -90.02 -4.57 57.34 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -171.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.8 -32.55 74.14 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.812 0.339 . . . . 0.0 110.598 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.2 mmt -57.66 136.1 56.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.18 143.35 55.71 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.14 -15.68 62.49 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.598 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.07 14.71 20.75 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -69.35 -13.22 62.26 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.485 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -88.62 1.66 54.59 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 122.341 0.256 . . . . 0.0 111.665 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -79.92 147.28 31.71 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 120.879 0.371 . . . . 0.0 111.201 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 81.1 p -149.15 150.13 31.24 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 C--N 1.354 0.837 0 C-N-CA 122.923 2.415 . . . . 0.0 112.082 177.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -71.43 -28.43 63.97 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.649 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.26 -65.6 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.032 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.5 p -81.69 -29.42 33.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.496 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.4 m 59.42 25.86 14.67 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.587 0.355 . . . . 0.0 111.422 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.8 p -132.4 -0.59 3.6 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.524 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -160.48 140.59 8.43 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.42 136.45 23.96 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.398 2.065 . . . . 0.0 111.834 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.71 128.6 8.99 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.087 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.38 -15.8 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 176.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -104.44 144.88 31.06 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-O 120.736 0.303 . . . . 0.0 110.704 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -130.42 132.44 45.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.141 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 125.93 42.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -88.01 -0.4 56.97 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.32 151.66 39.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.04 -24.62 66.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.94 -37.42 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.618 0.247 . . . . 0.0 110.683 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 76.3 m -105.88 -83.16 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.076 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.4 t80 59.89 39.2 20.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -140.15 171.59 13.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -90.17 145.25 25.17 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.665 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -144.91 146.02 31.82 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.274 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -81.32 175.53 10.51 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.141 169.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.16 -51.72 68.53 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 15.4 m -71.62 -35.05 70.33 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.778 0.323 . . . . 0.0 111.064 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.2 m -70.54 -35.7 73.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.59 -44.72 85.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.496 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -58.15 -41.77 84.46 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.909 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -68.0 -47.4 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.955 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -57.39 -43.06 83.32 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.175 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -98.01 11.97 35.81 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.393 -175.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -69.02 -33.93 74.42 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 64.6 mtt -66.61 145.27 55.78 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.83 156.32 36.6 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.25 -13.42 67.66 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.155 -175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.11 18.64 19.19 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.745 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -62.97 -20.52 65.34 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.529 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -88.49 3.55 49.79 Favored 'General case' 0 CA--C 1.566 1.583 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.798 -175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -81.32 142.08 33.41 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.901 0.382 . . . . 0.0 111.096 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 49.5 m -148.37 148.29 28.36 Favored Pre-proline 0 N--CA 1.476 0.826 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo . . . . . 0 C--N 1.353 0.801 0 C-N-CA 122.641 2.227 . . . . 0.0 112.013 177.696 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 30.3 t . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 120.919 0.39 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -67.79 -38.04 82.83 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.726 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.58 -67.56 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.094 -172.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.9 p -84.48 -38.76 19.71 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.397 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 17.3 m 62.01 19.39 10.74 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 122.654 0.382 . . . . 0.0 111.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 14.9 m -97.37 -4.22 38.85 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.669 0.271 . . . . 0.0 111.156 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -167.28 145.03 3.97 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.183 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.04 140.09 87.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.478 2.119 . . . . 0.0 112.11 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.48 126.97 8.67 Favored Glycine 0 CA--C 1.546 1.993 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.54 -20.7 23.24 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.579 2.186 . . . . 0.0 112.439 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -101.64 142.04 33.58 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -126.4 130.56 50.96 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 43.0 t -97.11 129.91 44.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -3.33 56.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.76 145.63 46.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -64.06 -22.84 67.1 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 33.7 t -68.11 -38.19 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 120.667 0.27 . . . . 0.0 110.774 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.7 m -105.65 -78.57 0.57 Allowed 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.936 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.5 t80 57.5 48.47 14.43 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 122.78 0.432 . . . . 0.0 111.097 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -158.81 177.84 10.74 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.95 149.23 21.96 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.52 149.71 34.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 9.8 m -80.74 173.79 12.26 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.22 170.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -59.75 -47.81 84.2 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -72.88 -39.75 66.16 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.7 0.286 . . . . 0.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.7 m -67.18 -35.42 79.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.01 -46.88 79.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.64 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.06 -41.27 83.01 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.879 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.93 -47.3 72.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.965 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.5 -44.75 93.04 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.263 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -94.03 9.42 37.7 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.487 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 20.6 t -73.0 -31.81 64.74 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.54 139.0 57.52 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.89 140.55 58.88 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.66 -10.65 68.7 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.599 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.08 11.1 20.42 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 116.844 0.322 . . . . 0.0 111.036 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.41 -15.2 63.54 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.582 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -85.9 -3.61 58.96 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -73.03 147.65 44.87 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.5 m -144.81 145.76 29.08 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.479 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 C--N 1.356 0.948 0 C-N-CA 122.741 2.294 . . . . 0.0 112.225 179.834 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.794 0.331 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.78 -33.36 64.2 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.709 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.2 -67.85 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.229 -172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.48 -28.19 46.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 42.6 m 57.03 24.82 10.0 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 122.49 0.316 . . . . 0.0 111.518 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.0 m -119.04 -6.56 10.46 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.413 -175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -168.02 160.24 9.47 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 122.463 0.305 . . . . 0.0 110.387 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.66 153.57 76.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.571 2.181 . . . . 0.0 112.374 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -100.28 109.46 3.71 Favored Glycine 0 CA--C 1.546 1.975 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.03 -15.72 47.54 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 122.604 2.203 . . . . 0.0 112.588 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -110.14 144.75 38.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.859 0.361 . . . . 0.0 110.717 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -130.27 133.16 46.29 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.097 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.17 130.05 44.46 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -90.72 -1.45 57.86 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.34 151.65 41.19 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.846 0.355 . . . . 0.0 111.084 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -31.08 70.99 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.216 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.81 -40.96 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.863 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.5 m -98.51 -86.26 0.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.925 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.6 t80 62.72 37.98 12.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.789 0.436 . . . . 0.0 111.093 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -141.22 177.35 8.15 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.068 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -92.85 143.5 26.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.4 150.85 38.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.176 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 14.8 m -87.43 176.8 7.33 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.11 -44.83 92.01 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.127 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.8 p -73.79 -42.02 61.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.67 -35.16 79.98 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -65.18 -46.15 81.98 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.65 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -58.5 -40.93 84.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.925 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -67.73 -47.36 69.54 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.059 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.86 -43.79 90.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.288 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -96.03 11.42 34.13 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.473 -174.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -73.49 -32.31 64.21 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.842 0.353 . . . . 0.0 110.709 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -62.82 141.0 58.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.71 143.84 57.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.19 -11.23 69.36 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.626 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mp -112.11 13.25 20.6 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.707 0.289 . . . . 0.0 110.994 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -68.4 -14.66 63.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.586 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -87.99 1.89 53.08 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 122.341 0.256 . . . . 0.0 111.69 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -78.86 150.51 32.2 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.915 0.388 . . . . 0.0 111.144 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 80.1 p -149.1 149.77 30.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo . . . . . 0 C--N 1.356 0.952 0 C-N-CA 122.814 2.343 . . . . 0.0 112.215 178.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -69.72 -17.51 63.46 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.792 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.82 -58.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 120.564 0.221 . . . . 0.0 110.853 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.56 -31.94 13.67 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.607 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.3 m 63.62 14.25 7.97 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 122.933 0.493 . . . . 0.0 111.796 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.5 p -105.34 -11.22 16.57 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 120.609 0.242 . . . . 0.0 111.497 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -168.21 156.46 8.05 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.45 -174.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -75.38 144.65 29.27 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.525 2.15 . . . . 0.0 112.178 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -94.55 121.09 6.62 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.09 -23.51 12.0 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.607 2.205 . . . . 0.0 112.708 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.18 143.68 26.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.712 0.292 . . . . 0.0 110.782 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -125.36 132.72 52.76 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 53.8 t -97.17 134.97 39.79 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.565 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -94.69 -4.13 48.07 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.41 148.56 39.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.751 0.31 . . . . 0.0 110.797 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.6 -23.03 66.73 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.468 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.34 -36.16 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 120.646 0.26 . . . . 0.0 110.808 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.35 -76.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.117 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.5 t80 53.15 49.23 20.43 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 121.005 0.431 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 176.53 12.06 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.079 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -87.72 148.4 24.77 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -146.35 151.37 37.38 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.7 m -86.25 171.8 10.97 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.979 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -57.86 -45.97 85.51 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.686 0.279 . . . . 0.0 110.954 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 9.7 p -69.99 -44.25 69.78 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 42.3 m -65.61 -36.23 83.11 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.059 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -64.61 -49.16 72.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.632 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.55 -42.0 91.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.73 177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -63.22 -43.02 99.26 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.168 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -73.68 -47.65 38.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.695 0.283 . . . . 0.0 111.553 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.16 -11.06 53.57 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -169.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.7 t -67.73 -30.84 70.42 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -52.66 133.94 36.18 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.37 133.57 55.85 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.88 -19.72 48.55 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.493 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.41 5.65 18.24 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 116.899 0.35 . . . . 0.0 111.355 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -70.52 -4.58 23.6 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -93.94 0.15 55.92 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 122.421 0.288 . . . . 0.0 111.624 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -76.27 154.27 35.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.931 0.396 . . . . 0.0 111.201 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 78.1 p -149.08 150.32 31.87 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 122.707 2.272 . . . . 0.0 112.042 178.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 120.709 0.29 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -71.72 -15.07 62.19 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.885 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 38.2 mm -76.35 -57.42 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-O 120.608 0.242 . . . . 0.0 110.797 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.35 -29.18 17.25 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.456 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.2 m 61.34 23.6 13.82 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.748 0.419 . . . . 0.0 111.601 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.7 p -120.3 -25.76 5.59 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -152.02 154.29 32.41 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 122.405 0.282 . . . . 0.0 110.48 -175.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.64 144.82 28.65 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.74 131.4 10.53 Favored Glycine 0 CA--C 1.546 2.025 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.029 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.52 -23.18 8.72 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.738 2.292 . . . . 0.0 112.537 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -97.81 140.87 31.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.658 0.266 . . . . 0.0 110.661 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -117.45 135.25 54.04 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.61 126.86 47.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.427 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -3.62 57.12 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -71.57 148.58 46.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.02 -23.56 66.58 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.367 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 43.4 t -68.35 -40.14 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 120.637 0.256 . . . . 0.0 110.742 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.88 -76.14 0.6 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.8 t80 55.76 49.02 17.05 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.941 0.401 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.15 176.76 11.57 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -94.14 147.75 22.86 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -146.51 147.48 31.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.943 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.03 176.26 9.9 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.275 171.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.88 -52.45 65.45 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.674 0.273 . . . . 0.0 111.186 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.5 m -70.83 -35.91 72.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.55 -36.58 76.47 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -65.27 -46.12 81.75 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.497 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -57.22 -45.34 83.95 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.803 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.48 -44.94 92.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.04 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -63.17 -43.93 96.87 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.318 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -95.87 5.02 52.28 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -171.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.5 m -69.0 -31.1 69.68 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.829 0.347 . . . . 0.0 110.7 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.1 ttt -58.02 131.38 50.3 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.08 138.05 58.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.83 58.42 Favored Glycine 0 CA--C 1.537 1.465 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.403 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.14 10.2 20.23 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -68.68 -12.16 61.06 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -87.68 -1.99 58.32 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -76.32 154.74 34.8 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 51.0 m -143.24 139.25 16.41 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.635 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 C--N 1.359 1.081 0 C-N-CA 122.74 2.293 . . . . 0.0 112.451 -177.561 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 N--CA 1.472 0.666 0 CA-C-O 120.652 0.263 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -73.47 -19.04 61.05 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.739 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 33.8 mm -71.39 -59.51 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.618 0.247 . . . . 0.0 110.84 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.78 -27.66 18.75 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.448 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 50.5 m 58.72 22.44 10.0 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.716 0.406 . . . . 0.0 111.528 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.8 m -117.86 -10.58 10.43 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.594 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -169.26 156.11 6.52 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 122.315 0.246 . . . . 0.0 110.486 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.63 140.27 35.64 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.605 2.203 . . . . 0.0 112.09 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -87.08 119.06 5.11 Favored Glycine 0 CA--C 1.546 1.998 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -64.54 -23.46 64.24 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.537 2.158 . . . . 0.0 112.713 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -102.62 146.47 28.13 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -129.64 130.49 45.66 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.108 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 48.5 t -97.01 116.61 29.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.485 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 10.48 17.86 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.917 -173.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.69 147.04 44.02 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.451 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -21.85 66.87 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.569 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.1 t -71.65 -36.35 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-O 120.691 0.282 . . . . 0.0 110.873 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 97.2 m -104.33 -82.31 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.051 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.6 t80 58.57 46.81 14.23 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.08 175.82 11.37 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.37 144.68 25.88 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -145.71 147.31 31.8 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.046 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.71 174.15 9.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.871 169.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -42.67 87.24 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.7 0.286 . . . . 0.0 110.935 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.6 p -75.19 -44.04 48.68 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.111 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 39.7 m -63.41 -34.69 78.28 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -65.79 -48.21 72.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.641 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -58.33 -41.77 85.33 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.848 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.59 -45.73 89.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.071 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.28 -48.93 68.82 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.253 -175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -86.33 -1.93 57.96 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.732 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 32.0 t -70.21 -28.45 65.29 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 66.6 mtt -56.09 142.56 36.12 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.203 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.85 131.45 50.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.981 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.61 -8.76 66.35 Favored Glycine 0 CA--C 1.541 1.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.925 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -112.24 11.99 20.28 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 117.034 0.417 . . . . 0.0 111.292 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -66.57 -16.53 64.23 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -86.55 -2.89 58.86 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 111.72 0.266 . . . . 0.0 111.72 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.77 147.42 48.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.023 0.439 . . . . 0.0 111.316 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.7 p -149.12 149.65 30.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.353 0.805 0 C-N-CA 122.787 2.325 . . . . 0.0 112.104 178.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 34.0 t . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.845 0.355 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -68.16 -20.54 64.89 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.756 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.3 mm -82.04 -63.15 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 120.515 0.198 . . . . 0.0 111.045 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.02 -32.53 17.55 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 18.4 p 64.17 6.81 3.11 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 123.189 0.595 . . . . 0.0 112.142 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.3 p -100.18 -14.97 18.29 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.307 0.243 . . . . 0.0 111.373 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -150.16 153.22 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 122.577 0.351 . . . . 0.0 110.161 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.1 142.56 34.52 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.534 2.156 . . . . 0.0 111.977 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -98.12 112.53 4.49 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 111.921 -0.471 . . . . 0.0 111.921 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.81 -16.7 20.58 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.552 2.168 . . . . 0.0 112.548 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -98.36 144.0 28.21 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -134.65 127.07 30.4 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.24 134.14 40.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.36 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -93.21 -10.52 35.42 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.779 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.24 148.39 50.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 120.747 0.308 . . . . 0.0 110.923 -177.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.88 -26.72 68.91 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.93 -36.85 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 120.61 0.243 . . . . 0.0 110.788 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.9 m -105.93 -85.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.6 t80 56.8 51.74 10.45 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-O 121.055 0.455 . . . . 0.0 110.982 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.36 176.13 12.02 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -87.11 147.37 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.5 149.12 35.41 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 13.9 m -89.42 172.24 9.15 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -58.18 -34.2 70.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.605 0.24 . . . . 0.0 111.227 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 8.5 p -80.22 -44.8 19.1 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.017 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.26 -34.82 78.87 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.129 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -65.44 -46.54 79.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.576 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -58.35 -46.66 85.83 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.657 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -59.46 -45.71 90.85 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.143 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -65.69 -48.48 71.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.311 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -91.69 -5.7 53.29 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.68 -32.53 74.14 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.811 0.339 . . . . 0.0 110.505 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.8 mmt -57.87 138.24 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.88 144.16 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.706 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.69 -17.77 58.68 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.49 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.05 14.6 20.77 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -68.21 -14.9 63.33 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.542 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.25 -3.05 59.03 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -74.56 144.43 44.03 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.4 t -149.22 144.47 18.02 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo . . . . . 0 C--N 1.361 1.201 0 C-N-CA 122.619 2.212 . . . . 0.0 112.263 176.697 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.85 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.81 162.13 35.46 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.921 2.414 . . . . 0.0 112.337 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.4 135.46 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.444 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -160.19 165.85 30.77 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.715 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 33.9 pt -94.19 162.78 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.33 150.79 61.36 Favored Pre-proline 0 CA--C 1.554 1.107 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.989 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -76.57 -7.2 17.6 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.943 2.428 . . . . 0.0 112.828 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.66 -8.42 59.7 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.65 0.262 . . . . 0.0 111.261 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 93.7 mt -130.3 -44.29 1.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 59.14 -159.71 0.29 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.593 0.357 . . . . 0.0 110.909 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -92.98 67.59 4.32 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 121.031 0.443 . . . . 0.0 110.509 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 9.9 t -66.48 123.4 19.91 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.758 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 1.6 tt -71.3 138.38 49.29 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.37 114.44 3.85 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.6 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -76.98 -15.5 59.63 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.637 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 41.2 mm -69.37 -54.21 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-O 120.618 0.247 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.6 p -97.08 -26.94 14.81 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.46 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.0 m 66.25 20.57 11.07 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 122.798 0.439 . . . . 0.0 111.283 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 51.0 m -92.67 -46.56 7.52 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.308 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -171.24 164.42 4.89 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.54 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.5 145.94 97.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.642 2.228 . . . . 0.0 112.136 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.86 152.57 24.93 Favored Glycine 0 CA--C 1.546 2.024 0 C-N-CA 121.439 -0.41 . . . . 0.0 112.242 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.56 -23.04 6.22 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.854 2.369 . . . . 0.0 112.567 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -98.03 138.92 34.63 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.656 0.265 . . . . 0.0 110.67 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -112.54 140.93 46.88 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 t -117.03 117.05 28.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -85.65 -10.67 55.42 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.87 146.79 36.21 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.757 0.313 . . . . 0.0 110.955 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -62.08 -25.99 68.02 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.302 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.79 -38.58 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.691 0.281 . . . . 0.0 110.869 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.97 -78.51 0.57 Allowed 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 8.8 t80 58.75 46.62 13.98 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 121.175 0.512 . . . . 0.0 110.764 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -159.64 168.31 26.35 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -90.32 155.65 18.82 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.135 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -146.56 147.02 30.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.672 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.0 m -72.66 169.8 15.84 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.219 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -55.89 -48.63 75.28 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.4 p -70.45 -42.57 71.33 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 120.744 0.307 . . . . 0.0 111.077 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 54.4 m -66.21 -35.69 81.11 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.116 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -64.87 -47.81 76.53 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.07 -42.32 90.1 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.65 -43.66 92.91 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.065 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -66.02 -45.18 82.43 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.36 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -95.6 5.32 51.77 Favored 'General case' 0 CA--C 1.561 1.381 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 3.9 m -68.8 -35.41 76.97 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.0 ttt -64.6 137.53 57.89 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.854 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.12 146.23 48.18 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.42 -25.14 29.2 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.18 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.45 5.28 17.97 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.665 0.269 . . . . 0.0 111.207 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.92 -6.48 38.75 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -90.11 -3.98 57.59 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 120.569 0.223 . . . . 0.0 111.536 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -73.86 161.8 29.78 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 27.1 t -148.77 138.01 12.34 Favored Pre-proline 0 CA--C 1.553 1.087 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.11 120.41 6.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.415 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 5.4 mt -104.48 169.1 8.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.277 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.8 157.54 28.4 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.613 172.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -76.09 119.69 20.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 58.97 -160.98 0.27 Allowed 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.678 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -85.35 128.61 34.77 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.712 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -81.78 -12.49 58.52 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -152.83 139.84 19.2 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.359 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -69.61 -31.13 69.08 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.396 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -161.32 142.9 11.68 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.764 0.316 . . . . 0.0 110.765 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 7.8 t -162.01 169.74 20.52 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.731 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 121.071 0.462 . . . . 0.0 110.851 -179.654 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.79 165.24 31.9 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.915 2.41 . . . . 0.0 112.312 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.56 146.28 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.57 15.1 27.54 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.333 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.8 tt -155.92 156.28 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-O 120.701 0.286 . . . . 0.0 110.399 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -59.09 130.3 86.65 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.603 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -77.28 178.13 8.01 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.754 2.303 . . . . 0.0 112.579 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 54.83 46.64 24.08 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.267 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 510' ' ' LEU . 3.7 mp -69.83 154.92 41.31 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.533 175.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.09 -80.12 0.17 Allowed 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.563 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -169.26 116.41 0.61 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.685 0.278 . . . . 0.0 110.699 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 74.7 m -100.25 133.03 45.25 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.03 140.2 47.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.625 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 51.1 t -60.81 136.29 58.03 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -69.63 -31.39 69.47 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.678 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.9 mm -82.18 -70.28 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.147 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.8 p -75.51 -30.49 59.83 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.404 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 30.3 m 60.07 21.36 10.55 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.532 0.333 . . . . 0.0 111.506 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -10.61 11.76 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 120.597 0.237 . . . . 0.0 111.52 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -167.78 157.01 8.92 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 122.335 0.254 . . . . 0.0 110.437 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.95 160.86 30.28 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.693 2.262 . . . . 0.0 112.094 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -113.04 147.62 18.52 Favored Glycine 0 CA--C 1.544 1.856 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.092 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -79.42 -23.87 6.94 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.787 2.324 . . . . 0.0 112.466 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -93.95 139.21 31.19 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.816 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -116.08 134.47 54.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.7 t -103.72 125.61 50.31 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.397 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -86.58 -16.42 36.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.6 144.31 56.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.736 0.303 . . . . 0.0 110.883 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -62.99 -22.07 66.58 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.446 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.93 -37.01 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-O 120.601 0.239 . . . . 0.0 110.826 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 74.5 m -108.59 -76.71 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.967 -175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 57.35 51.93 9.35 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 122.873 0.469 . . . . 0.0 111.173 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -162.72 -179.99 7.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -88.64 151.7 22.3 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.026 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -146.42 145.08 30.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.3 m -75.1 169.74 17.42 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.227 171.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -58.66 -49.14 78.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 120.552 0.215 . . . . 0.0 111.193 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.7 t -70.92 -37.79 72.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.05 -38.3 82.31 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -63.39 -46.28 87.17 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.626 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.33 -41.71 80.51 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.944 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -69.57 -47.15 64.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.981 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -58.7 -42.26 88.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.235 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -99.6 15.33 27.0 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.459 -173.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -77.65 -33.72 53.38 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.855 0.359 . . . . 0.0 110.747 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 63.9 mtt -65.35 141.0 58.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.76 143.58 56.03 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.7 -18.75 56.46 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.507 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.35 9.12 19.8 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.703 0.287 . . . . 0.0 111.206 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -69.03 -13.0 62.19 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.478 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -87.83 -3.05 58.97 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -74.21 148.71 41.35 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 73.1 m -134.7 137.53 27.73 Favored Pre-proline 0 N--CA 1.483 1.209 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.705 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -83.05 120.6 3.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.704 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.2 mt -91.94 163.72 13.91 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.738 171.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.5 mmt -92.9 132.25 37.2 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.356 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.29 165.54 20.4 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -65.4 156.73 31.34 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -135.5 172.59 12.79 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.97 153.34 43.87 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.917 0.389 . . . . 0.0 111.076 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -67.92 125.68 27.05 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -124.7 0.73 8.14 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.05 -29.47 19.41 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.775 0.322 . . . . 0.0 110.951 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 84.1 p -151.53 177.09 10.67 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.002 0.43 . . . . 0.0 110.894 -178.811 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.948 0 N-CA-C 112.354 -0.298 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.86 166.8 28.47 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.97 2.446 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 9.4 p -158.93 151.86 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.466 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -69.4 -38.0 77.74 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.099 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.1 pt -86.19 51.99 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -103.46 110.63 64.15 Favored Pre-proline 0 CA--C 1.556 1.2 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.599 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -82.06 157.33 17.77 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.774 2.316 . . . . 0.0 112.39 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -86.87 34.74 0.67 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 56.7 mt 59.22 -125.37 1.28 Allowed 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.327 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.9 5.79 31.31 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.456 0.169 . . . . 0.0 111.27 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.04 43.57 11.22 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 121.069 0.462 . . . . 0.0 111.266 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -90.6 144.68 25.53 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.639 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.87 136.76 55.88 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.945 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 41.1 t -69.23 123.31 20.81 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.534 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.79 -20.57 61.84 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.796 -173.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 45.6 mm -73.6 -62.47 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-O 120.492 0.187 . . . . 0.0 110.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.31 -28.81 25.02 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.379 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 40.5 p 60.56 18.97 8.85 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 123.03 0.532 . . . . 0.0 111.811 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 72.1 p -115.25 -20.09 10.51 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -152.6 157.15 33.58 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.171 0.189 . . . . 0.0 110.733 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.36 151.87 83.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.551 2.167 . . . . 0.0 112.116 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.58 110.38 3.96 Favored Glycine 0 CA--C 1.545 1.94 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.8 -14.78 39.72 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.479 2.119 . . . . 0.0 112.631 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -105.67 149.6 26.21 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.862 0.363 . . . . 0.0 110.654 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -135.68 130.27 34.01 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.335 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.1 t -97.25 130.24 44.48 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.701 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -89.81 -3.23 58.24 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -173.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.72 149.47 43.74 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.688 0.28 . . . . 0.0 110.966 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -65.37 -26.8 68.17 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.84 -35.71 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.719 0.295 . . . . 0.0 110.823 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.2 m -106.79 -86.57 0.49 Allowed 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.5 t80 61.92 38.27 14.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.717 0.407 . . . . 0.0 111.128 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -141.4 176.9 8.49 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -89.94 143.06 27.11 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.65 152.09 43.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 111.208 -178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.7 m -92.24 173.42 7.83 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.861 169.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.2 69.55 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 120.61 0.243 . . . . 0.0 111.242 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 49.5 m -72.17 -37.45 69.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.681 0.277 . . . . 0.0 111.16 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.54 -36.62 81.35 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -65.19 -47.8 75.69 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -59.04 -39.89 83.36 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.857 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -65.02 -45.68 84.51 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.061 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -67.11 -48.84 66.92 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.313 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -86.22 -0.38 55.61 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.701 -170.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.4 t -69.45 -30.41 68.31 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.939 0.399 . . . . 0.0 110.524 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -57.12 136.99 56.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -62.15 139.81 58.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.796 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 94.81 -10.13 70.55 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.662 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.1 15.53 20.54 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 116.835 0.317 . . . . 0.0 111.024 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -68.98 -16.4 63.72 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.492 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -87.73 2.11 52.03 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 120.659 0.266 . . . . 0.0 111.651 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -77.64 146.54 36.05 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 120.967 0.413 . . . . 0.0 111.077 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.3 t -149.06 141.64 15.32 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.383 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -77.36 144.71 23.26 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.524 2.149 . . . . 0.0 112.116 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.39 157.57 31.55 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.141 0.496 . . . . 0.0 111.35 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.2 mmt -69.23 120.62 15.34 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.6 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -82.22 149.96 27.6 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -92.87 167.8 11.6 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.521 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -94.62 149.29 21.39 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.382 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -77.34 124.75 28.29 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.711 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -72.89 149.94 43.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.749 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -126.59 140.12 52.67 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.636 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -156.06 140.86 17.11 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 69.4 m -88.84 -30.17 19.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.099 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.072 0.463 . . . . 0.0 110.738 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.787 0 N-CA-C 112.388 -0.285 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -74.15 161.06 41.57 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.95 2.433 . . . . 0.0 112.316 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 157.65 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.646 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.78 146.86 35.59 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.599 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 44.0 pt -95.39 157.29 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.0 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -155.04 127.87 4.16 Favored Pre-proline 0 CA--C 1.555 1.17 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.371 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.45 147.99 33.02 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -102.9 -37.02 8.01 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.17 2.96 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.021 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -90.25 -3.11 58.01 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.284 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -165.69 72.26 0.17 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 61.3 m -96.29 150.12 20.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.089 0.471 . . . . 0.0 111.416 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.98 143.31 47.65 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 175.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 47.2 t -60.26 137.62 58.09 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -71.26 -30.84 66.79 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.773 -174.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.47 -66.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.313 -171.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.2 p -81.17 -26.6 35.91 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.438 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.0 m 57.45 23.59 9.25 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 122.487 0.315 . . . . 0.0 111.652 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 71.1 m -115.15 -6.77 12.47 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.437 -176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.07 159.21 7.76 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 122.478 0.311 . . . . 0.0 110.343 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.13 149.98 47.15 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 122.326 2.017 . . . . 0.0 111.823 171.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -99.04 141.23 15.44 Favored Glycine 0 CA--C 1.545 1.914 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.17 -17.74 18.93 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.672 2.248 . . . . 0.0 112.458 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -105.24 140.43 38.4 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.777 0.322 . . . . 0.0 110.7 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -121.34 132.76 54.96 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.375 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 47.8 t -97.8 128.27 44.32 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.5 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 -0.17 57.11 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.91 152.04 41.63 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.888 0.375 . . . . 0.0 111.005 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -66.65 -28.06 68.17 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.22 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.83 -41.78 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-O 120.66 0.266 . . . . 0.0 110.71 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.4 m -101.36 -83.04 0.46 Allowed 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.001 -175.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.07 37.74 14.47 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.747 0.419 . . . . 0.0 111.151 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -140.89 176.48 8.77 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -91.47 150.07 21.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.785 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -147.96 146.86 29.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.125 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.5 m -81.38 177.17 9.14 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.222 169.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -56.93 -57.65 11.6 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 120.67 0.272 . . . . 0.0 111.195 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.2 m -69.96 -33.39 72.04 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.712 0.292 . . . . 0.0 111.043 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.11 -38.74 79.06 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.011 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -65.13 -45.9 83.19 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -57.77 -44.15 86.01 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.811 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.12 -44.88 94.37 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.18 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -66.13 -48.77 69.74 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.239 -177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.87 -2.73 58.73 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.741 -169.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 47.8 t -66.23 -31.77 72.79 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 62.5 mtt -59.37 134.47 57.03 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.774 177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.77 146.88 53.07 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.972 0.415 . . . . 0.0 110.846 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.0 -17.11 59.96 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.404 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.2 mp -112.25 8.51 19.79 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 122.399 0.28 . . . . 0.0 111.109 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -68.08 -11.32 58.84 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -89.01 -2.34 58.53 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -74.48 162.26 28.99 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.884 0.373 . . . . 0.0 111.093 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 35.7 p -148.73 138.98 13.13 Favored Pre-proline 0 CA--C 1.556 1.201 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.809 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -85.03 122.4 2.55 Favored 'Trans proline' 0 C--N 1.359 1.111 0 C-N-CA 122.777 2.318 . . . . 0.0 112.553 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.2 149.77 33.63 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.592 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 56.4 mtt -133.69 150.36 51.53 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.879 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -80.41 163.0 24.17 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -63.43 144.17 57.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -72.74 160.23 32.54 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -154.24 161.51 41.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -72.26 -42.35 65.72 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.958 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -164.06 -58.17 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -165.07 155.34 13.67 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.677 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 14.4 p -79.44 -23.05 43.39 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.326 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.889 0.376 . . . . 0.0 110.576 179.813 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.844 0 N-CA-C 112.356 -0.297 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -74.73 163.57 35.46 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.965 2.443 . . . . 0.0 112.234 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.73 131.43 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -164.78 164.34 21.13 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 9.2 tp -158.32 144.64 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 120.875 0.369 . . . . 0.0 110.712 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -84.34 138.9 38.79 Favored Pre-proline 0 CA--C 1.559 1.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.01 51.36 3.91 Favored 'Trans proline' 0 CA--C 1.553 1.474 0 C-N-CA 122.776 2.318 . . . . 0.0 112.7 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -83.86 -3.79 58.18 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.156 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.57 156.71 29.03 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -176.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 74.59 -56.52 0.63 Allowed 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.633 0.773 . . . . 0.0 110.995 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -90.13 39.64 0.97 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.168 0.508 . . . . 0.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.5 t -100.18 132.92 45.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.74 143.02 57.19 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.908 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 33.0 t -59.34 131.21 50.29 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.482 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.27 -15.9 61.91 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.891 -172.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.73 -64.33 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 120.519 0.199 . . . . 0.0 110.987 -178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 19.9 p -87.92 -29.61 20.7 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.7 m 61.23 17.68 8.41 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 122.643 0.377 . . . . 0.0 111.727 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.4 t -104.86 -12.16 16.39 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 -175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -165.45 156.05 12.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 122.483 0.313 . . . . 0.0 110.297 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.79 138.26 28.59 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.378 2.052 . . . . 0.0 112.159 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.84 124.33 7.23 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.35 -13.41 20.7 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.632 2.221 . . . . 0.0 112.482 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -107.21 140.5 39.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -129.89 131.26 45.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.177 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 41.8 t -97.08 131.55 43.74 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.422 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -92.76 -8.38 43.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.833 -172.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.91 146.04 55.48 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.49 -25.35 68.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.218 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.5 t -65.43 -36.99 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-O 120.645 0.26 . . . . 0.0 110.913 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 90.4 m -105.91 -84.33 0.51 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.047 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.7 t80 60.3 41.49 16.35 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.003 0.43 . . . . 0.0 110.892 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -140.61 169.73 17.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.191 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.5 143.06 26.73 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.633 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -143.6 148.31 35.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.963 0.411 . . . . 0.0 111.289 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.2 m -85.18 178.22 7.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.071 169.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -56.76 -51.9 67.07 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 120.698 0.285 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 20.2 m -72.22 -37.24 69.25 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.158 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 51.8 m -68.72 -36.38 78.35 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.001 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -65.98 -46.8 76.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.525 176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.57 -42.04 82.3 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.816 177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -66.69 -47.59 71.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.034 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 45.8 tpt85 -60.68 -43.92 97.12 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.176 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -93.63 6.62 47.66 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.56 -173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 14.6 t -70.85 -29.64 65.82 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.966 0.412 . . . . 0.0 110.63 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 19.3 mmt -59.17 141.05 55.19 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.959 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -61.55 137.36 58.24 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.89 -8.79 73.49 Favored Glycine 0 CA--C 1.541 1.712 0 CA-C-N 116.13 -0.487 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.19 8.84 20.02 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.943 0.372 . . . . 0.0 111.282 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.96 -10.43 58.56 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.57 0.224 . . . . 0.0 111.564 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -87.25 -4.1 59.07 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 122.299 0.239 . . . . 0.0 111.592 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -72.45 151.34 42.62 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.937 0.399 . . . . 0.0 111.122 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 33.0 p -149.03 151.91 35.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.98 161.34 33.02 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.82 2.347 . . . . 0.0 112.229 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.73 169.38 6.47 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 121.044 0.45 . . . . 0.0 111.075 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 42.5 tpp -101.13 126.38 47.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -99.12 106.61 18.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.407 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -163.78 161.86 23.52 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 -177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.97 140.2 47.66 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.476 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -78.54 138.48 38.42 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -70.21 149.17 47.77 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.822 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -147.21 148.94 32.01 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.706 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 8.9 t70 75.64 -55.72 0.61 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 123.488 0.715 . . . . 0.0 111.203 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -14.29 60.67 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.708 0.29 . . . . 0.0 111.117 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.24 0.564 0 CA-C-O 120.844 0.354 . . . . 0.0 110.763 179.399 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.843 0 N-CA-C 112.376 -0.29 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.47 165.28 30.94 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.963 2.442 . . . . 0.0 112.289 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 128.71 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -87.41 149.09 24.69 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.827 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 8.9 tp -77.82 -24.32 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.77 152.26 41.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.541 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.46 149.54 80.24 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.586 2.191 . . . . 0.0 112.109 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -82.4 -8.59 59.62 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.479 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.67 158.17 15.55 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.573 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -122.51 150.57 42.37 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.514 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -80.07 64.04 4.77 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -67.5 138.39 56.52 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.83 138.07 57.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 46.4 t -63.46 126.72 28.41 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.495 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.92 -15.23 61.14 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.757 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.6 mm -85.91 -61.87 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.461 0.172 . . . . 0.0 111.02 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.1 -26.17 25.41 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.507 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 m 58.51 24.55 12.02 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 122.565 0.346 . . . . 0.0 111.577 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 61.6 m -122.64 -16.1 7.32 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -154.32 154.86 30.24 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 122.528 0.331 . . . . 0.0 110.235 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.34 139.74 29.43 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.377 2.051 . . . . 0.0 111.88 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -88.97 117.29 4.86 Favored Glycine 0 CA--C 1.544 1.86 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -71.13 -20.61 28.32 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.515 2.143 . . . . 0.0 112.577 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -98.87 143.78 28.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.815 0.34 . . . . 0.0 110.655 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -129.79 132.94 46.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.2 t -104.49 126.98 52.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.198 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -8.81 48.34 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.08 147.63 46.75 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.723 0.297 . . . . 0.0 110.85 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.96 -26.65 68.33 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.198 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.36 -36.39 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-O 120.64 0.257 . . . . 0.0 110.861 177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 99.4 m -107.0 -82.6 0.54 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.046 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.7 t80 58.51 40.54 23.77 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 120.922 0.392 . . . . 0.0 110.937 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -143.65 172.36 12.92 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.11 144.87 25.11 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.721 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -144.12 150.41 38.06 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.919 0.39 . . . . 0.0 111.295 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.6 m -89.6 173.86 8.08 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.953 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.28 -41.49 79.85 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.559 0.218 . . . . 0.0 111.359 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 16.2 m -77.14 -39.52 48.95 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.775 0.322 . . . . 0.0 111.078 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.99 -34.39 75.22 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.022 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -66.19 -47.12 74.99 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -58.45 -43.9 88.99 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.775 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.74 -45.04 95.63 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.148 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -67.1 -47.71 70.37 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.247 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -89.06 2.33 54.23 Favored 'General case' 0 CA--C 1.558 1.259 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.73 -170.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.9 m -68.78 -30.33 68.9 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.677 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.31 138.8 57.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.12 147.12 52.96 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 92.7 -13.52 67.26 Favored Glycine 0 CA--C 1.542 1.744 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.577 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.05 15.38 20.64 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 120.748 0.309 . . . . 0.0 111.094 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -66.34 -17.34 64.71 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.497 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -86.63 -2.63 58.67 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -77.88 147.71 34.96 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-O 120.848 0.356 . . . . 0.0 111.024 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.8 p -148.96 149.2 29.53 Favored Pre-proline 0 CA--C 1.554 1.119 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.53 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -81.31 132.95 8.39 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.593 2.195 . . . . 0.0 112.314 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.9 mt -76.5 153.92 35.07 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.3 mmt -80.46 123.17 27.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.525 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -77.34 134.84 38.38 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.806 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -71.34 146.16 49.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -148.49 145.73 28.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.54 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.01 137.82 57.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -162.88 148.11 11.88 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.644 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -159.52 135.04 8.42 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.645 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -76.76 139.73 40.52 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.577 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.58 165.39 36.72 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 120.895 0.378 . . . . 0.0 110.969 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.476 0.866 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.803 179.877 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.681 0 N-CA-C 112.274 -0.33 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.51 69.93 6.48 Favored 'Trans proline' 0 CA--C 1.548 1.194 0 C-N-CA 122.893 2.396 . . . . 0.0 112.134 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 17.9 t 71.07 121.46 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 C-N-CA 123.382 0.673 . . . . 0.0 110.956 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.19 160.06 26.6 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.643 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.67 151.29 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.835 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -152.45 127.99 4.98 Favored Pre-proline 0 CA--C 1.556 1.177 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -79.33 157.03 25.81 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.812 2.341 . . . . 0.0 112.451 -177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -81.53 -13.48 58.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.382 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 77.4 mt -141.82 125.48 16.88 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.242 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -84.15 -20.51 32.33 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.528 -176.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -96.67 10.32 38.99 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.082 0.468 . . . . 0.0 111.451 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 8.0 t -102.09 109.59 21.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.225 170.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -87.54 143.57 27.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.057 0.456 . . . . 0.0 111.358 -172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 15.9 t -59.99 144.9 48.06 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.957 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -67.74 -32.89 73.81 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.74 -175.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.87 -65.21 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.139 -172.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 9.4 p -80.59 -33.95 35.58 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.361 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.5 m 63.97 8.56 4.0 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 122.775 0.43 . . . . 0.0 111.768 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 63.4 p -110.46 -11.45 14.49 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.311 0.244 . . . . 0.0 111.284 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -146.94 151.43 41.66 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.343 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -78.51 146.02 21.33 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.714 2.276 . . . . 0.0 112.307 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -109.4 137.49 14.24 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.99 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -80.34 -20.07 8.63 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.672 2.248 . . . . 0.0 112.779 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -97.91 139.94 33.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.898 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -117.21 135.29 53.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.6 t -106.24 130.53 54.09 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.42 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.88 -17.48 27.98 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.45 146.04 52.52 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 120.803 0.335 . . . . 0.0 110.836 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.31 -25.82 67.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.207 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 11.5 t -63.84 -31.22 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.953 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 71.0 m -115.05 -80.74 0.6 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.01 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.3 52.46 8.75 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.008 0.432 . . . . 0.0 111.082 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -165.57 -179.95 5.72 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -89.7 151.72 21.71 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.0 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -146.25 144.32 29.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.8 m -76.62 168.85 19.34 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.082 170.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -57.79 -46.9 83.95 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.701 0.286 . . . . 0.0 111.097 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.9 p -70.65 -42.29 71.02 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.767 0.317 . . . . 0.0 111.071 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 85.0 m -66.44 -37.37 85.01 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.165 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -64.36 -48.14 76.66 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.647 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -58.23 -40.12 80.88 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.821 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -66.44 -46.57 76.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.137 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -47.86 70.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.756 0.313 . . . . 0.0 111.096 -175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -85.52 3.13 41.81 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.583 -172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.8 t -66.3 -31.96 73.08 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -57.33 137.33 56.2 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.73 139.16 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.39 -11.04 63.4 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.5 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.98 11.86 20.64 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -70.5 -12.44 61.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.51 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -86.24 -4.36 59.15 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 122.308 0.243 . . . . 0.0 111.649 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -74.34 156.53 37.01 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.87 0.366 . . . . 0.0 110.777 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 56.6 p -148.72 141.93 15.73 Favored Pre-proline 0 CA--C 1.554 1.133 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.825 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.59 120.67 3.2 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.789 2.326 . . . . 0.0 112.496 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mt -89.49 154.6 19.89 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 78.2 mtm -147.94 156.25 42.47 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.272 175.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -65.26 145.26 56.45 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.927 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -75.04 -28.97 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -126.63 135.33 51.05 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.275 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -64.77 142.44 58.43 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 120.895 0.379 . . . . 0.0 111.032 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.45 136.36 42.3 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -138.67 147.46 42.84 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.75 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -79.28 161.14 26.5 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 28.1 p -78.56 -16.72 57.11 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.443 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.034 0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.24 162.69 38.08 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.946 2.431 . . . . 0.0 112.286 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.96 156.68 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.653 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -86.38 162.13 18.33 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 2.2 pp -132.39 174.68 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -127.97 156.97 75.27 Favored Pre-proline 0 CA--C 1.554 1.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.659 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.93 155.7 37.25 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 122.852 2.368 . . . . 0.0 112.622 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -84.3 1.3 45.52 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.491 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -150.74 173.35 14.29 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.735 0.302 . . . . 0.0 111.046 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -134.13 158.7 42.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.29 70.28 10.11 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 121.083 0.468 . . . . 0.0 110.657 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 66.8 m -69.86 141.32 53.24 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.82 143.62 56.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 28.0 t -56.17 141.75 39.6 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.048 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -64.08 -36.95 85.7 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.76 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 27.0 mt -84.2 -71.27 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -171.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 12.8 p -76.8 -35.8 57.37 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -172.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 19.8 m 64.08 12.0 6.63 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.747 0.419 . . . . 0.0 111.579 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 42.0 m -91.41 -8.64 47.32 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.649 0.261 . . . . 0.0 111.405 -177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.79 158.96 11.25 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 122.465 0.306 . . . . 0.0 110.36 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.56 149.18 55.12 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.404 2.07 . . . . 0.0 112.021 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.71 133.32 11.3 Favored Glycine 0 CA--C 1.544 1.881 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.895 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 -14.35 17.86 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 122.569 2.179 . . . . 0.0 112.525 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -108.04 140.94 40.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.738 0.304 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -125.6 131.43 52.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.244 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.7 t -97.06 133.07 42.21 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -94.11 -4.66 48.89 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -72.99 149.68 43.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 -176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -64.67 -26.75 68.52 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.07 -36.56 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 120.621 0.248 . . . . 0.0 110.873 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.6 m -107.95 -78.73 0.58 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.101 -175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.7 t80 56.39 48.57 16.7 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 121.07 0.462 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -157.48 178.24 10.52 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -91.74 150.12 21.27 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 -177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -147.26 149.5 33.0 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -78.68 174.44 11.4 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.264 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -56.33 -56.9 15.34 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 120.742 0.306 . . . . 0.0 111.124 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 21.4 m -69.97 -33.65 72.36 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.136 -176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 81.2 m -69.08 -39.17 79.21 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -63.82 -46.74 83.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.653 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.32 -43.56 88.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.822 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -64.96 -44.29 89.89 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.977 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -64.19 -47.55 79.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.25 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -91.46 3.47 54.89 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 16.5 m -74.14 -29.85 62.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.63 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 23.4 mmt -57.76 137.03 56.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.919 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.25 135.24 57.67 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.765 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 99.61 -14.51 60.54 Favored Glycine 0 CA--C 1.54 1.608 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.654 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.24 12.65 20.37 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.841 0.32 . . . . 0.0 111.17 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -70.12 -12.32 61.52 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.508 0.194 . . . . 0.0 111.452 -175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -91.3 2.95 56.01 Favored 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 122.428 0.291 . . . . 0.0 111.704 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -78.77 149.96 32.52 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -145.0 145.42 27.26 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.533 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.95 137.21 10.86 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.686 2.257 . . . . 0.0 112.161 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.33 158.38 35.18 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.154 0.502 . . . . 0.0 111.414 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 14.2 tpt -152.11 147.21 26.19 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.52 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -64.14 129.62 40.72 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.672 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -78.45 129.04 34.45 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -90.19 92.5 8.97 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -70.13 -39.83 75.19 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -77.48 140.7 39.85 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.42 -42.05 88.31 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -156.4 152.77 27.93 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 37.9 m -160.95 161.55 31.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 120.925 0.393 . . . . 0.0 110.688 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 121.014 0.435 . . . . 0.0 110.934 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.893 0 N-CA-C 112.411 -0.276 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.57 161.55 39.59 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.921 2.414 . . . . 0.0 112.264 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 22.9 m -79.49 152.95 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -161.84 166.62 26.09 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.748 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 7.9 tp -107.08 135.34 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.291 173.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -104.65 150.29 38.41 Favored Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.703 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.13 -17.97 13.1 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.74 2.293 . . . . 0.0 112.675 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 60.56 22.28 12.04 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 122.747 0.419 . . . . 0.0 111.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 32.6 tp -79.42 125.84 30.06 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.579 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -164.52 -35.16 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.161 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -156.76 46.38 0.42 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.225 0.536 . . . . 0.0 110.363 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 61.8 m -78.59 147.86 33.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.331 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 41.1 tp -66.93 139.91 57.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 50.5 t -71.89 117.52 13.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 174.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -70.56 -23.33 62.59 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.706 -173.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.62 -56.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-O 120.678 0.275 . . . . 0.0 110.814 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 22.8 p -91.5 -33.59 15.13 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.36 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.36 17.84 10.76 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 122.7 0.4 . . . . 0.0 111.473 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.3 p -113.2 -16.96 12.46 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -166.98 156.2 9.62 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 120.508 0.194 . . . . 0.0 110.815 -174.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -75.92 150.43 34.33 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.635 2.223 . . . . 0.0 112.062 176.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.86 132.65 11.37 Favored Glycine 0 CA--C 1.546 2.017 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -80.19 -21.55 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.74 2.293 . . . . 0.0 112.58 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -95.98 139.92 31.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.75 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -113.96 134.91 54.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.7 t -101.1 129.57 47.0 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -93.52 -5.97 47.85 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.63 149.99 43.43 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.784 0.326 . . . . 0.0 110.933 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -64.25 -26.94 68.73 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.235 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 31.6 t -65.39 -36.81 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.656 0.265 . . . . 0.0 110.915 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 75.1 m -109.79 -76.08 0.62 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.4 t80 56.54 47.34 18.82 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 122.779 0.432 . . . . 0.0 111.128 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -162.12 -179.97 7.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -90.59 152.2 20.99 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -147.37 152.53 38.33 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.676 175.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.5 m -81.67 173.4 12.37 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.268 170.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -58.34 -51.08 71.33 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.702 0.286 . . . . 0.0 111.157 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.6 m -70.7 -36.74 73.42 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.781 0.324 . . . . 0.0 111.106 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 47.5 m -69.68 -39.08 77.19 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -63.25 -46.54 86.39 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.628 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -56.72 -46.06 81.52 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.789 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.3 -45.12 92.83 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.09 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -65.86 -46.85 76.93 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.37 -174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -91.48 -3.41 56.62 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 9.2 m -66.87 -31.79 72.62 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.636 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 22.2 mmt -58.01 136.0 57.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.71 137.91 58.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.675 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.53 -18.58 53.09 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.596 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.28 7.32 19.31 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.861 0.331 . . . . 0.0 111.239 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.93 -4.6 33.13 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -92.92 1.04 57.5 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 122.415 0.286 . . . . 0.0 111.502 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -78.15 162.72 26.42 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 24.5 t -148.77 135.92 10.7 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.685 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.96 120.54 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.597 -176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 7.4 mt -91.24 156.88 17.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.9 175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.4 ptp -97.43 152.22 19.17 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.772 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -70.25 146.23 50.8 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.651 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.9 146.22 54.99 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.258 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -152.69 136.55 16.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.239 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -147.17 13.94 1.12 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.355 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -157.21 159.27 37.52 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.648 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -152.7 144.26 23.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.39 152.33 45.07 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 19.5 p -83.68 155.68 23.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.999 178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.017 0.437 . . . . 0.0 110.897 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.876 0 N-CA-C 112.387 -0.285 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.43 163.29 36.52 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.887 2.392 . . . . 0.0 112.259 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 10.3 p -160.44 152.32 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -153.54 154.27 33.97 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 54.9 mt 72.61 -56.94 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 C-N-CA 123.436 0.694 . . . . 0.0 110.955 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -78.33 126.81 82.64 Favored Pre-proline 0 CA--C 1.557 1.241 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.534 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.62 141.75 22.45 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.574 2.182 . . . . 0.0 112.249 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -86.83 -3.19 59.04 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.369 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.43 -49.29 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.891 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 70.55 164.91 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 123.102 0.561 . . . . 0.0 111.109 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.69 121.13 11.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 46.7 t -100.14 134.52 42.95 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.036 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 62.8 tp -81.79 140.77 34.02 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.226 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.23 122.94 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.748 0.309 . . . . 0.0 110.733 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -69.69 -24.21 63.55 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.741 -172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.0 mm -81.41 -64.26 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.118 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.18 -29.69 21.57 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 27.5 m 62.11 20.17 11.43 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 122.654 0.382 . . . . 0.0 111.399 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.7 m -97.61 -23.22 16.08 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -170.82 156.65 5.02 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.584 -173.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.18 143.75 40.49 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.527 2.152 . . . . 0.0 111.892 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -95.25 156.0 21.57 Favored Glycine 0 CA--C 1.543 1.833 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.317 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.9 -26.14 6.96 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.843 2.362 . . . . 0.0 112.597 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -91.42 140.02 30.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.729 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -122.74 133.11 54.49 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.493 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 34.1 t -104.37 123.21 47.01 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.578 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -84.22 -12.83 54.15 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -173.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -61.51 146.77 47.52 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.694 0.283 . . . . 0.0 110.97 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.53 -23.38 67.37 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.96 -34.96 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-O 120.661 0.267 . . . . 0.0 110.705 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 73.0 m -109.17 -83.98 0.55 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -175.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 61.74 36.88 16.1 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.856 0.462 . . . . 0.0 111.035 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -141.69 172.62 12.43 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -90.11 157.23 17.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -149.43 147.26 28.04 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.961 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -73.41 168.26 19.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.298 171.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -57.78 -47.22 83.16 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 120.677 0.275 . . . . 0.0 111.204 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -73.33 -40.54 64.38 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.791 0.329 . . . . 0.0 111.04 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.27 -37.83 86.39 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.08 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -63.0 -47.54 82.7 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.64 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -57.61 -41.32 81.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.857 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -68.37 -45.76 71.88 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -40.68 92.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.289 -174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -92.79 2.61 56.66 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.554 -175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 23.3 t -68.48 -31.28 70.45 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.95 0.405 . . . . 0.0 110.642 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 20.3 mmt -57.5 138.99 54.51 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.4 142.24 58.49 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.63 -14.77 63.76 Favored Glycine 0 CA--C 1.538 1.523 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.1 11.96 20.48 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.047 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -67.98 -13.58 62.29 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.475 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -88.25 -2.46 58.62 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -75.39 143.77 42.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.815 0.341 . . . . 0.0 111.09 -177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.2 m -146.02 143.89 20.53 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.73 136.04 8.17 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 122.7 2.266 . . . . 0.0 112.262 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.1 145.1 42.54 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.09 178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 13.5 tpt -84.82 120.29 26.28 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.413 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -131.31 138.22 49.14 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -162.27 145.49 11.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.699 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -93.08 129.81 38.92 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.503 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -89.19 -29.57 19.2 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.09 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.44 171.99 13.28 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.874 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -67.07 -26.78 66.9 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.151 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -154.1 163.71 39.66 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 60.7 m -103.44 143.27 32.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 121.002 0.429 . . . . 0.0 110.9 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.895 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -74.98 162.19 37.59 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.974 2.45 . . . . 0.0 112.328 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 24.2 m -77.09 153.8 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -140.25 149.81 43.32 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.2 pt -82.57 -11.17 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.167 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -153.97 128.02 4.53 Favored Pre-proline 0 CA--C 1.555 1.158 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.241 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.59 154.96 40.15 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.726 2.284 . . . . 0.0 112.455 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -80.37 -9.05 59.74 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.349 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.23 150.17 33.5 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 120.93 0.395 . . . . 0.0 110.895 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -138.1 173.43 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.256 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -78.7 66.85 4.3 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.16 0.505 . . . . 0.0 110.882 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 8.7 t -70.84 136.9 49.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.003 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.95 143.1 54.51 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.95 125.76 25.47 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.2 -33.62 75.76 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.768 -173.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.2 mm -73.12 -58.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.185 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 26.8 p -91.54 -24.78 19.51 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.5 m 59.43 25.12 13.81 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 122.555 0.342 . . . . 0.0 111.284 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.0 t -98.39 -39.6 8.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.241 -176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -172.09 157.66 4.09 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.402 -172.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.13 134.78 37.96 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 122.442 2.095 . . . . 0.0 111.798 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -79.57 156.47 40.89 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.224 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.32 -22.04 11.31 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.858 2.372 . . . . 0.0 112.511 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -98.91 139.53 34.44 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.558 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -118.13 131.34 56.42 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.383 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 40.8 t -97.07 123.95 40.95 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.53 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.31 2.46 56.62 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.64 151.4 43.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -65.45 -28.02 68.93 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.26 -41.29 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-O 120.59 0.233 . . . . 0.0 110.818 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 86.9 m -101.08 -79.21 0.51 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.183 -174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 5.1 t80 58.53 48.06 12.52 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.143 0.497 . . . . 0.0 110.775 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -157.67 172.22 18.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.784 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -91.26 153.45 19.96 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.174 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -148.3 147.01 28.83 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.99 174.3 10.79 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 174.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.56 -48.1 75.32 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 120.668 0.27 . . . . 0.0 111.196 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.1 p -74.5 -40.89 61.53 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 120.692 0.282 . . . . 0.0 111.077 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 60.3 m -66.11 -35.87 81.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.131 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -66.3 -46.06 78.26 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.611 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -58.41 -43.23 88.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.823 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -65.61 -45.9 81.36 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.115 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -62.01 -45.16 94.85 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.331 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -94.44 1.8 55.77 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -171.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 34.1 t -69.01 -32.07 71.34 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 58.2 ttm -58.63 135.74 57.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -58.72 137.87 57.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.761 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 98.97 -16.24 59.69 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.646 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.3 mp -112.23 6.72 19.14 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 116.81 0.305 . . . . 0.0 111.256 177.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -71.0 -8.23 51.84 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -89.06 -3.33 58.71 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 122.403 0.281 . . . . 0.0 111.552 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -72.38 158.31 36.01 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.999 0.428 . . . . 0.0 111.097 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 52.8 p -148.9 144.15 17.87 Favored Pre-proline 0 CA--C 1.553 1.063 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.41 135.08 6.95 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.823 2.349 . . . . 0.0 112.315 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.83 156.34 39.41 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.073 0.463 . . . . 0.0 111.181 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.61 155.17 27.0 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.817 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -64.88 150.16 48.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -66.63 -28.57 68.59 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.987 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -153.72 143.29 21.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.337 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.02 146.18 25.61 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.936 0.398 . . . . 0.0 110.886 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -72.76 159.12 34.31 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.42 148.16 45.46 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.71 -28.23 45.06 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.612 173.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 15.8 t -156.09 152.1 27.58 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.25 176.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -177.264 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.906 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.83 163.22 36.04 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.953 2.435 . . . . 0.0 112.378 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.75 140.83 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -104.63 147.58 27.49 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.656 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.21 138.47 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.422 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -69.43 149.81 97.13 Favored Pre-proline 0 CA--C 1.552 1.025 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.78 -30.24 68.76 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.631 2.221 . . . . 0.0 112.429 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -68.47 -18.92 64.51 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 10.4 mp -108.57 0.62 20.9 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.18 -43.07 10.67 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.787 0.327 . . . . 0.0 110.71 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -160.88 96.17 1.11 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.597 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 4.2 t -100.34 135.24 42.08 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.952 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.26 136.73 42.67 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.375 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.1 t -61.57 125.72 24.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.58 -26.84 64.66 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.695 -173.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 29.7 mm -77.11 -63.94 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.057 -174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.4 p -84.92 -27.15 26.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.515 -174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.1 m 58.31 21.43 8.25 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.58 0.352 . . . . 0.0 111.656 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.5 m -116.61 -9.17 11.4 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.521 -175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.88 158.51 7.84 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 122.334 0.253 . . . . 0.0 110.552 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.61 155.9 44.83 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.13 . . . . 0.0 111.832 171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -101.64 144.46 16.42 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 -21.9 12.64 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.748 2.298 . . . . 0.0 112.539 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -102.4 139.44 38.0 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 110.753 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -117.23 136.51 53.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.02 127.83 43.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.806 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -91.37 3.26 55.35 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.101 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.8 150.82 32.26 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.805 0.336 . . . . 0.0 111.052 -176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -60.92 -29.31 69.52 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.3 t -68.09 -37.1 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.081 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.4 m -104.6 -80.0 0.54 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.517 -170.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.2 57.98 6.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.017 0.437 . . . . 0.0 110.623 -171.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -158.13 154.6 27.72 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.912 -173.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -81.42 144.97 31.03 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -144.57 146.96 32.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.853 0.359 . . . . 0.0 111.116 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 3.7 m -75.15 171.25 14.48 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.224 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -48.17 82.67 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 120.771 0.32 . . . . 0.0 111.047 -178.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -40.93 72.14 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.59 -38.71 87.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.017 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -62.62 -46.08 89.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.694 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -58.51 -46.03 87.55 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.23 -42.47 98.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -47.31 62.51 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -91.13 -8.28 49.21 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -169.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 40.7 t -62.85 -32.59 73.86 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.633 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 60.5 mtt -57.46 134.59 56.2 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.787 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.33 144.59 50.25 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 97.89 -21.7 44.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.484 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.34 7.1 19.13 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 116.818 0.309 . . . . 0.0 111.26 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.19 -4.3 28.51 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -175.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -93.09 1.72 57.08 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 122.391 0.276 . . . . 0.0 111.483 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -77.76 158.38 29.61 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-O 120.797 0.332 . . . . 0.0 111.069 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 13.1 m -143.52 140.66 17.75 Favored Pre-proline 0 N--CA 1.481 1.109 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.641 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.47 128.03 6.01 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.805 2.337 . . . . 0.0 112.071 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.89 152.13 40.27 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.272 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 25.5 mmt -129.55 138.31 51.25 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.532 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -78.14 150.98 33.53 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -81.97 140.72 33.83 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -76.29 -31.6 58.33 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.786 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -90.31 144.56 25.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.891 0.376 . . . . 0.0 110.789 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -82.92 159.23 22.35 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.923 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -75.43 146.41 40.75 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.419 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -153.53 146.47 24.46 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.638 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 9.3 t -164.56 164.48 21.68 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.641 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 59.0 p . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 120.913 0.387 . . . . 0.0 110.753 179.172 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.885 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -73.87 159.75 44.54 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.916 2.41 . . . . 0.0 112.331 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 14.9 p -162.28 148.81 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -138.35 144.72 40.46 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 44.4 pt -80.82 -17.67 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.087 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -157.47 78.62 3.6 Favored Pre-proline 0 CA--C 1.555 1.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.74 159.52 42.11 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.8 2.333 . . . . 0.0 112.277 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -81.19 -8.32 59.73 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.442 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.53 147.41 25.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.67 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -103.65 151.97 22.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.95 48.56 1.37 Allowed 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 121.158 0.504 . . . . 0.0 110.74 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 70.7 m -79.91 127.27 32.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.86 143.73 50.95 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 26.2 t -57.24 138.85 54.2 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.812 175.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -66.06 -32.27 73.63 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 42.6 mm -82.79 -64.3 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.223 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.61 -29.74 27.49 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.531 -172.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 36.6 m 59.3 18.51 6.73 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 122.518 0.327 . . . . 0.0 111.7 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 66.3 m -113.01 -5.76 13.77 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 120.586 0.231 . . . . 0.0 111.366 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.85 155.1 10.73 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 122.496 0.319 . . . . 0.0 110.238 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.13 137.46 23.86 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.53 2.153 . . . . 0.0 112.08 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -90.75 127.99 9.08 Favored Glycine 0 CA--C 1.546 1.974 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.65 -23.44 14.6 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.598 2.199 . . . . 0.0 112.701 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -93.13 143.63 26.06 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.796 0.332 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -127.88 131.42 49.43 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.2 131.03 44.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -90.11 -2.38 58.08 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -74.48 149.03 40.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.61 -23.91 66.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.401 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.68 -37.05 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 120.698 0.285 . . . . 0.0 110.779 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 79.4 m -105.42 -84.41 0.5 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 1.7 t80 60.1 35.06 21.28 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 122.743 0.417 . . . . 0.0 111.255 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -140.86 176.84 8.47 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.035 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -88.23 146.73 25.19 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -145.16 150.85 37.49 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 6.0 m -85.52 175.84 8.57 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.204 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -58.97 -53.93 52.86 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.1 m -71.57 -33.88 69.46 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.779 0.323 . . . . 0.0 111.109 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.39 -40.33 77.43 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.877 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 13.3 t-105 -61.95 -45.84 91.9 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.625 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -57.47 -45.92 84.27 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.787 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -61.93 -45.04 95.44 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.096 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -47.59 78.16 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.148 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -90.02 -4.57 57.34 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -171.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.8 -32.55 74.14 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.812 0.339 . . . . 0.0 110.598 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.2 mmt -57.66 136.1 56.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.18 143.35 55.71 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.14 -15.68 62.49 Favored Glycine 0 CA--C 1.539 1.594 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.598 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mp -112.07 14.71 20.75 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -69.35 -13.22 62.26 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.485 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -88.62 1.66 54.59 Favored 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 122.341 0.256 . . . . 0.0 111.665 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -79.92 147.28 31.71 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-O 120.879 0.371 . . . . 0.0 111.201 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 81.1 p -149.15 150.13 31.24 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.56 160.91 16.91 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.923 2.415 . . . . 0.0 112.082 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.55 156.76 39.05 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.686 176.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 78.3 mtm -145.89 140.7 27.19 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.676 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 -86.59 131.67 34.1 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.616 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -78.86 146.12 33.82 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.663 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -67.58 147.55 52.6 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.782 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 63.1 mttp 59.8 19.3 8.13 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.796 176.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -74.0 131.43 41.38 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 120.669 0.271 . . . . 0.0 110.726 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -117.51 -47.12 2.65 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -91.98 138.28 31.67 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 40.4 m -75.18 -22.03 58.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.219 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 179.323 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.854 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.79 165.26 31.87 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.95 2.433 . . . . 0.0 112.296 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 18.6 m -74.48 149.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.811 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.58 -37.51 56.4 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 37.3 mm -125.46 140.68 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.543 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -151.99 147.77 20.41 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.636 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -76.54 145.42 26.36 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.68 2.253 . . . . 0.0 112.257 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -84.52 -3.84 58.63 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.331 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.69 119.48 17.98 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.48 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -94.11 -50.63 5.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.791 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -161.35 96.77 1.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 75.1 m -100.09 150.15 22.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 121.087 0.47 . . . . 0.0 111.212 -175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 tp -71.09 143.06 50.77 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.494 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 48.4 t -63.71 133.0 52.78 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -71.43 -28.43 63.97 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.649 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.26 -65.6 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.032 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.5 p -81.69 -29.42 33.03 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.496 -173.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 43.4 m 59.42 25.86 14.67 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 122.587 0.355 . . . . 0.0 111.422 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.8 p -132.4 -0.59 3.6 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.524 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -160.48 140.59 8.43 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.42 136.45 23.96 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.398 2.065 . . . . 0.0 111.834 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.71 128.6 8.99 Favored Glycine 0 CA--C 1.545 1.915 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.087 -176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.38 -15.8 19.74 Favored 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 176.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -104.44 144.88 31.06 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-O 120.736 0.303 . . . . 0.0 110.704 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -130.42 132.44 45.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.141 175.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 125.93 42.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -88.01 -0.4 56.97 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.32 151.66 39.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.04 -24.62 66.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.94 -37.42 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-O 120.618 0.247 . . . . 0.0 110.683 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 76.3 m -105.88 -83.16 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.076 -175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.4 t80 59.89 39.2 20.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -140.15 171.59 13.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 -176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -90.17 145.25 25.17 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.665 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -144.91 146.02 31.82 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.274 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.9 m -81.32 175.53 10.51 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.141 169.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -58.16 -51.72 68.53 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 15.4 m -71.62 -35.05 70.33 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.778 0.323 . . . . 0.0 111.064 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.2 m -70.54 -35.7 73.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.01 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.59 -44.72 85.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.496 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -58.15 -41.77 84.46 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.909 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -68.0 -47.4 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.955 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -57.39 -43.06 83.32 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.175 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -98.01 11.97 35.81 Favored 'General case' 0 CA--C 1.558 1.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.393 -175.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -69.02 -33.93 74.42 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.881 0.372 . . . . 0.0 110.665 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 64.6 mtt -66.61 145.27 55.78 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.83 156.32 36.6 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 93.25 -13.42 67.66 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.155 -175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.11 18.64 19.19 Favored 'General case' 0 CA--C 1.56 1.35 0 CA-C-O 120.847 0.356 . . . . 0.0 110.745 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -62.97 -20.52 65.34 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.529 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -88.49 3.55 49.79 Favored 'General case' 0 CA--C 1.566 1.583 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.798 -175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -81.32 142.08 33.41 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.901 0.382 . . . . 0.0 111.096 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 49.5 m -148.37 148.29 28.36 Favored Pre-proline 0 N--CA 1.476 0.826 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 176.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.05 159.45 30.44 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.641 2.227 . . . . 0.0 112.013 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.06 30.86 0.57 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.148 0.499 . . . . 0.0 111.261 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 49.2 tpp -80.47 127.02 31.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -90.6 118.29 29.93 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.517 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 58.32 -159.94 0.27 Allowed 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -144.61 -8.65 0.65 Allowed 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.265 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -72.44 162.02 30.03 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.84 0.352 . . . . 0.0 111.166 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -69.46 134.43 48.93 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.226 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 54.05 70.54 0.59 Allowed 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.012 0.434 . . . . 0.0 110.731 -176.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -68.63 -12.68 61.67 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.359 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 24.2 p -79.61 1.74 25.02 Favored 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 122.403 0.281 . . . . 0.0 111.445 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 41.4 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.141 0.496 . . . . 0.0 111.054 179.435 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.902 0 N-CA-C 112.382 -0.287 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.75 164.67 33.15 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.931 2.421 . . . . 0.0 112.26 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 13.4 p -69.98 143.79 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.788 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -154.65 123.99 6.43 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.34 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.5 pt -91.34 -18.26 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.364 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -160.5 136.6 6.19 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 122.444 0.298 . . . . 0.0 110.452 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.11 130.08 16.03 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.65 2.233 . . . . 0.0 112.075 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -83.34 -11.37 57.75 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.529 -176.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 66.5 mt 51.89 -135.26 1.51 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.708 0.403 . . . . 0.0 110.829 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -160.69 162.12 32.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.98 73.33 9.13 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.994 0.426 . . . . 0.0 110.725 -178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 71.5 m -69.19 137.37 53.21 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.89 143.59 56.76 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.58 143.7 34.7 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.172 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -67.79 -38.04 82.83 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.726 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.58 -67.56 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.094 -172.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 17.9 p -84.48 -38.76 19.71 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.397 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 17.3 m 62.01 19.39 10.74 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 122.654 0.382 . . . . 0.0 111.462 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 14.9 m -97.37 -4.22 38.85 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 120.669 0.271 . . . . 0.0 111.156 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -167.28 145.03 3.97 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.183 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.04 140.09 87.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.478 2.119 . . . . 0.0 112.11 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -91.48 126.97 8.67 Favored Glycine 0 CA--C 1.546 1.993 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.54 -20.7 23.24 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.579 2.186 . . . . 0.0 112.439 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -101.64 142.04 33.58 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -126.4 130.56 50.96 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.262 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 43.0 t -97.11 129.91 44.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.576 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -3.33 56.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.76 145.63 46.95 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.9 pm0 -64.06 -22.84 67.1 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 33.7 t -68.11 -38.19 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 120.667 0.27 . . . . 0.0 110.774 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.7 m -105.65 -78.57 0.57 Allowed 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.936 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 4.5 t80 57.5 48.47 14.43 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 122.78 0.432 . . . . 0.0 111.097 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -158.81 177.84 10.74 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.95 149.23 21.96 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.52 149.71 34.14 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 9.8 m -80.74 173.79 12.26 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.22 170.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -59.75 -47.81 84.2 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 11.3 p -72.88 -39.75 66.16 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.7 0.286 . . . . 0.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 62.7 m -67.18 -35.42 79.61 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.01 -46.88 79.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.64 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.06 -41.27 83.01 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.879 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.93 -47.3 72.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.965 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -59.5 -44.75 93.04 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.263 -176.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -94.03 9.42 37.7 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.487 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 20.6 t -73.0 -31.81 64.74 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 120.79 0.329 . . . . 0.0 110.699 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.54 139.0 57.52 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.89 140.55 58.88 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.777 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.66 -10.65 68.7 Favored Glycine 0 CA--C 1.54 1.625 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.599 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mp -112.08 11.1 20.42 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 116.844 0.322 . . . . 0.0 111.036 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -67.41 -15.2 63.54 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.582 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -85.9 -3.61 58.96 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -73.03 147.65 44.87 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 120.829 0.347 . . . . 0.0 111.135 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 74.5 m -144.81 145.76 29.08 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.479 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.81 141.07 13.27 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.741 2.294 . . . . 0.0 112.225 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.47 165.48 25.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 111.488 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 11.3 tpt -133.01 162.93 30.38 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.469 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -54.67 134.79 47.28 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.806 0.336 . . . . 0.0 110.926 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -70.87 -47.27 60.14 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -175.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -77.49 138.36 39.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -134.88 -14.43 2.11 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.226 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -91.75 155.43 18.27 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.787 0.327 . . . . 0.0 110.784 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -158.73 133.22 8.02 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.567 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.03 -48.67 20.04 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 10.9 t -163.88 157.18 18.45 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.852 0.358 . . . . 0.0 110.689 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.974 0.416 . . . . 0.0 110.797 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.863 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.4 165.75 30.1 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.939 2.426 . . . . 0.0 112.268 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 83.9 t -74.66 128.72 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -141.53 162.84 34.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.62 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 47.7 pt -116.7 167.98 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -143.88 149.01 44.69 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.795 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.37 162.95 33.02 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.91 2.407 . . . . 0.0 112.363 -178.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -75.96 -7.7 55.22 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.497 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.84 131.49 24.06 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.331 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.06 2.38 55.28 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -87.78 -164.04 1.04 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -177.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 47.8 m -63.89 150.17 45.51 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.363 0.602 . . . . 0.0 112.075 -170.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.31 143.63 44.88 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.659 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.5 t -58.53 137.21 57.55 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.794 0.331 . . . . 0.0 110.841 177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -73.78 -33.36 64.2 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.709 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.2 mm -79.2 -67.85 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.229 -172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.3 p -78.48 -28.19 46.37 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 -173.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 42.6 m 57.03 24.82 10.0 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 122.49 0.316 . . . . 0.0 111.518 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.0 m -119.04 -6.56 10.46 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.413 -175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -168.02 160.24 9.47 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 122.463 0.305 . . . . 0.0 110.387 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.66 153.57 76.82 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.571 2.181 . . . . 0.0 112.374 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -100.28 109.46 3.71 Favored Glycine 0 CA--C 1.546 1.975 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -67.03 -15.72 47.54 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 122.604 2.203 . . . . 0.0 112.588 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -110.14 144.75 38.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.859 0.361 . . . . 0.0 110.717 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -130.27 133.16 46.29 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.097 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.17 130.05 44.46 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -90.72 -1.45 57.86 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -173.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.34 151.65 41.19 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.846 0.355 . . . . 0.0 111.084 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -31.08 70.99 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.216 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.81 -40.96 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.863 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 91.5 m -98.51 -86.26 0.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.925 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 2.6 t80 62.72 37.98 12.22 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.789 0.436 . . . . 0.0 111.093 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -141.22 177.35 8.15 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.948 0.404 . . . . 0.0 111.068 -177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -92.85 143.5 26.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.4 150.85 38.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.176 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 14.8 m -87.43 176.8 7.33 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 169.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.11 -44.83 92.01 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-O 120.784 0.326 . . . . 0.0 111.127 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.8 p -73.79 -42.02 61.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 41.7 m -65.67 -35.16 79.98 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.052 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -65.18 -46.15 81.98 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.65 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -58.5 -40.93 84.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.925 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -67.73 -47.36 69.54 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.059 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -58.86 -43.79 90.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.288 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -96.03 11.42 34.13 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.473 -174.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 18.8 t -73.49 -32.31 64.21 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.842 0.353 . . . . 0.0 110.709 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 98.4 mmm -62.82 141.0 58.82 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.71 143.84 57.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 95.19 -11.23 69.36 Favored Glycine 0 CA--C 1.539 1.549 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.626 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mp -112.11 13.25 20.6 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.707 0.289 . . . . 0.0 110.994 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -68.4 -14.66 63.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.586 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -87.99 1.89 53.08 Favored 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 122.341 0.256 . . . . 0.0 111.69 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -78.86 150.51 32.2 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.915 0.388 . . . . 0.0 111.144 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 80.1 p -149.1 149.77 30.5 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.571 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -81.12 160.88 20.57 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.814 2.343 . . . . 0.0 112.215 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.2 32.91 0.44 Allowed 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.086 0.469 . . . . 0.0 111.244 178.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.56 126.94 29.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.744 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 85.4 mtt85 -86.44 135.22 33.57 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -69.16 -32.72 72.24 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 58.32 45.49 16.92 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.044 0.45 . . . . 0.0 110.998 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -64.44 139.3 58.75 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.62 159.93 33.56 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.046 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -70.84 134.74 47.58 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.492 175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -88.59 -45.31 9.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.029 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 97.5 p -168.49 175.96 6.0 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.478 0.957 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.67 177.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.903 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.38 161.89 39.36 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.014 2.476 . . . . 0.0 112.269 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.2 t -136.63 126.33 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -81.46 -37.87 27.3 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.3 tt -162.27 149.79 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.499 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -138.07 113.62 9.01 Favored Pre-proline 0 CA--C 1.554 1.123 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.62 -8.45 14.76 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.794 2.329 . . . . 0.0 112.668 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 66.24 9.5 6.4 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.602 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 88.8 mt -138.56 137.34 36.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.553 0.341 . . . . 0.0 110.42 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -166.61 -62.55 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.588 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.0 45.85 1.13 Allowed 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 41.1 m -88.93 121.45 31.3 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.506 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.86 142.67 57.24 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.896 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.29 124.52 22.43 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.266 172.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -69.72 -17.51 63.46 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.792 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 37.0 mm -76.82 -58.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-O 120.564 0.221 . . . . 0.0 110.853 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.56 -31.94 13.67 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.607 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 24.3 m 63.62 14.25 7.97 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 122.933 0.493 . . . . 0.0 111.796 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 77.5 p -105.34 -11.22 16.57 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 120.609 0.242 . . . . 0.0 111.497 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -168.21 156.46 8.05 Favored Pre-proline 0 CA--C 1.547 0.855 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.45 -174.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -75.38 144.65 29.27 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.525 2.15 . . . . 0.0 112.178 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -94.55 121.09 6.62 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.949 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.09 -23.51 12.0 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 122.607 2.205 . . . . 0.0 112.708 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -92.18 143.68 26.18 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.712 0.292 . . . . 0.0 110.782 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -125.36 132.72 52.76 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 53.8 t -97.17 134.97 39.79 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.565 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -94.69 -4.13 48.07 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -173.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.41 148.56 39.04 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.751 0.31 . . . . 0.0 110.797 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -65.6 -23.03 66.73 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.468 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.34 -36.16 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-O 120.646 0.26 . . . . 0.0 110.808 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 72.6 m -109.35 -76.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.117 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.5 t80 53.15 49.23 20.43 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 121.005 0.431 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 176.53 12.06 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.079 -174.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -87.72 148.4 24.77 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.023 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -146.35 151.37 37.38 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 5.7 m -86.25 171.8 10.97 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.979 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -57.86 -45.97 85.51 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.686 0.279 . . . . 0.0 110.954 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 9.7 p -69.99 -44.25 69.78 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 42.3 m -65.61 -36.23 83.11 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.059 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -64.61 -49.16 72.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.632 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -59.55 -42.0 91.4 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.73 177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -63.22 -43.02 99.26 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.168 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -73.68 -47.65 38.14 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.695 0.283 . . . . 0.0 111.553 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -86.16 -11.06 53.57 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -169.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 33.7 t -67.73 -30.84 70.42 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.803 0.335 . . . . 0.0 110.583 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 65.3 mtt -52.66 133.94 36.18 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -58.37 133.57 55.85 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.88 -19.72 48.55 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.493 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.41 5.65 18.24 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 116.899 0.35 . . . . 0.0 111.355 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -70.52 -4.58 23.6 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -93.94 0.15 55.92 Favored 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 122.421 0.288 . . . . 0.0 111.624 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -76.27 154.27 35.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.931 0.396 . . . . 0.0 111.201 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 78.1 p -149.08 150.32 31.87 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -80.81 161.02 21.45 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.707 2.272 . . . . 0.0 112.042 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 1.5 pp -81.8 169.57 16.73 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.947 0.403 . . . . 0.0 110.956 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -137.18 145.41 43.7 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.586 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -77.81 140.86 39.45 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.631 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -152.68 124.36 7.82 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -144.92 146.52 32.03 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.576 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.43 -13.12 55.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.055 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -60.34 132.68 54.67 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 110.797 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 72.6 mmt-85 -78.39 153.16 31.82 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -75.24 -32.83 61.24 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 21.7 p -85.99 156.51 20.42 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.955 0.407 . . . . 0.0 110.987 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 121.051 0.453 . . . . 0.0 110.878 -179.707 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.859 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -74.87 164.24 33.91 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 122.973 2.448 . . . . 0.0 112.323 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.56 152.62 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -82.13 117.32 22.2 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.514 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 8.7 tp -163.45 151.38 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.502 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.02 144.77 90.62 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.679 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.17 -15.98 28.55 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.691 2.261 . . . . 0.0 112.538 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -86.45 -2.63 58.61 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.327 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 92.7 mt -128.04 168.51 15.22 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -158.72 158.06 32.96 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.315 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.08 53.15 1.38 Allowed 'General case' 0 CA--C 1.557 1.235 0 CA-C-O 121.176 0.513 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 67.8 m -82.43 122.85 28.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.993 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 61.9 tp -76.96 143.1 39.71 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.52 117.29 10.08 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.404 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -71.72 -15.07 62.19 Favored 'General case' 0 CA--C 1.557 1.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.885 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 38.2 mm -76.35 -57.42 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-O 120.608 0.242 . . . . 0.0 110.797 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.35 -29.18 17.25 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.456 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.2 m 61.34 23.6 13.82 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.748 0.419 . . . . 0.0 111.601 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 70.7 p -120.3 -25.76 5.59 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -152.02 154.29 32.41 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 122.405 0.282 . . . . 0.0 110.48 -175.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.64 144.82 28.65 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.555 2.17 . . . . 0.0 111.909 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -86.74 131.4 10.53 Favored Glycine 0 CA--C 1.546 2.025 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.029 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.52 -23.18 8.72 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.738 2.292 . . . . 0.0 112.537 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -97.81 140.87 31.54 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.658 0.266 . . . . 0.0 110.661 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -117.45 135.25 54.04 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 45.8 t -100.61 126.86 47.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.427 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.98 -3.62 57.12 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -173.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -71.57 148.58 46.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.02 -23.56 66.58 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.367 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 43.4 t -68.35 -40.14 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-O 120.637 0.256 . . . . 0.0 110.742 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.88 -76.14 0.6 Allowed 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.8 t80 55.76 49.02 17.05 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.941 0.401 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.15 176.76 11.57 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -175.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -94.14 147.75 22.86 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -146.51 147.48 31.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.943 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.03 176.26 9.9 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.275 171.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.88 -52.45 65.45 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.674 0.273 . . . . 0.0 111.186 -178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 19.5 m -70.83 -35.91 72.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 56.6 m -69.55 -36.58 76.47 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 24.4 t-105 -65.27 -46.12 81.75 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.497 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -57.22 -45.34 83.95 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.803 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.48 -44.94 92.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.04 178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -63.17 -43.93 96.87 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.318 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -95.87 5.02 52.28 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -171.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 15.5 m -69.0 -31.1 69.68 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.829 0.347 . . . . 0.0 110.7 171.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 28.1 ttt -58.02 131.38 50.3 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.08 138.05 58.44 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.693 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 101.26 -13.83 58.42 Favored Glycine 0 CA--C 1.537 1.465 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.403 -178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -112.14 10.2 20.23 Favored 'General case' 0 CA--C 1.558 1.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -68.68 -12.16 61.06 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -87.68 -1.99 58.32 Favored 'General case' 0 CA--C 1.563 1.459 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -76.32 154.74 34.8 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 51.0 m -143.24 139.25 16.41 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.635 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.0 120.73 3.44 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.74 2.293 . . . . 0.0 112.451 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 9.0 mt -78.34 150.0 33.33 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.691 173.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 54.5 mtt -138.01 146.16 42.75 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.879 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -73.46 152.73 40.64 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -76.94 -31.08 56.38 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.318 -175.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -81.34 116.91 21.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.43 -29.97 61.72 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -159.14 157.81 31.64 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.771 0.319 . . . . 0.0 110.656 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -63.96 -22.09 66.77 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.9 -32.01 72.36 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.599 0.238 . . . . 0.0 111.429 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 63.2 p -97.05 7.95 45.54 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.575 0.226 . . . . 0.0 111.386 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.042 0.449 . . . . 0.0 110.795 178.38 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.95 0 N-CA-C 112.357 -0.297 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -74.73 163.14 36.38 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.86 2.373 . . . . 0.0 112.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.9 t -76.12 126.02 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.416 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -142.42 153.85 44.08 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.453 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.1 tt -159.35 149.64 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -155.87 130.75 5.14 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -74.16 124.63 9.18 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.588 2.192 . . . . 0.0 112.124 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -92.43 -1.88 56.69 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.33 127.08 32.35 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.741 0.305 . . . . 0.0 110.644 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -98.54 12.64 34.57 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.784 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -87.89 -161.74 0.75 Allowed 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -176.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 62.7 m -63.44 147.1 52.18 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.346 0.593 . . . . 0.0 111.746 -170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 29.7 tp -79.9 143.33 34.36 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 52.4 t -67.66 118.28 10.72 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.332 173.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -73.47 -19.04 61.05 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.739 -173.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 33.8 mm -71.39 -59.51 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.618 0.247 . . . . 0.0 110.84 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.78 -27.66 18.75 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.448 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 50.5 m 58.72 22.44 10.0 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.716 0.406 . . . . 0.0 111.528 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 68.8 m -117.86 -10.58 10.43 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.594 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -169.26 156.11 6.52 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 122.315 0.246 . . . . 0.0 110.486 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -71.63 140.27 35.64 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.605 2.203 . . . . 0.0 112.09 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -87.08 119.06 5.11 Favored Glycine 0 CA--C 1.546 1.998 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -64.54 -23.46 64.24 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.537 2.158 . . . . 0.0 112.713 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -102.62 146.47 28.13 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -129.64 130.49 45.66 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.108 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 48.5 t -97.01 116.61 29.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.485 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 10.48 17.86 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.917 -173.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -73.69 147.04 44.02 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.709 0.29 . . . . 0.0 110.451 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -21.85 66.87 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.569 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.1 t -71.65 -36.35 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-O 120.691 0.282 . . . . 0.0 110.873 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 97.2 m -104.33 -82.31 0.51 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.051 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 3.6 t80 58.57 46.81 14.23 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.08 175.82 11.37 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -89.37 144.68 25.88 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -145.71 147.31 31.8 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.046 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.71 174.15 9.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.871 169.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -42.67 87.24 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 120.7 0.286 . . . . 0.0 110.935 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 10.6 p -75.19 -44.04 48.68 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.111 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 39.7 m -63.41 -34.69 78.28 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -65.79 -48.21 72.55 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.641 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -58.33 -41.77 85.33 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.848 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.59 -45.73 89.06 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.071 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.28 -48.93 68.82 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.253 -175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -86.33 -1.93 57.96 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.732 -169.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 32.0 t -70.21 -28.45 65.29 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 169.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 66.6 mtt -56.09 142.56 36.12 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.203 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.85 131.45 50.91 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.981 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.61 -8.76 66.35 Favored Glycine 0 CA--C 1.541 1.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.925 174.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -112.24 11.99 20.28 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 117.034 0.417 . . . . 0.0 111.292 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -66.57 -16.53 64.23 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -86.55 -2.89 58.86 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 111.72 0.266 . . . . 0.0 111.72 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -70.77 147.42 48.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.023 0.439 . . . . 0.0 111.316 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.7 p -149.12 149.65 30.17 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.478 175.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.53 161.09 37.69 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.787 2.325 . . . . 0.0 112.104 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.37 160.13 25.38 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 120.968 0.413 . . . . 0.0 110.911 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 39.0 tpp -152.03 144.87 24.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -76.97 163.43 26.71 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -159.03 -50.52 0.06 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.771 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 63.2 30.06 15.94 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.349 173.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -162.66 174.08 13.03 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 120.933 0.397 . . . . 0.0 110.935 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -151.75 140.06 20.41 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -145.04 152.92 40.88 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.634 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.56 154.93 38.39 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 32.3 m -69.28 -22.04 63.84 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.365 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 120.882 0.372 . . . . 0.0 110.688 -179.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.926 0 N-CA-C 112.376 -0.289 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -74.04 161.28 41.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.891 2.394 . . . . 0.0 112.259 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 31.0 m -88.27 39.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.797 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -161.3 138.29 8.71 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.535 -175.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.2 tt -92.46 142.75 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.443 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -104.29 112.11 65.35 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -81.31 -1.44 11.09 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 122.869 2.38 . . . . 0.0 112.662 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 63.88 24.23 13.63 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.824 0.45 . . . . 0.0 111.126 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 89.7 mt -135.86 153.37 51.5 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.501 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -146.89 116.42 7.09 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.601 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 51.59 39.5 25.07 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 50.4 m -87.26 150.42 23.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.036 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.72 143.24 57.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.703 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.5 130.46 46.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -68.16 -20.54 64.89 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.756 -173.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 36.3 mm -82.04 -63.15 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 120.515 0.198 . . . . 0.0 111.045 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.02 -32.53 17.55 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 18.4 p 64.17 6.81 3.11 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 123.189 0.595 . . . . 0.0 112.142 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.3 p -100.18 -14.97 18.29 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.307 0.243 . . . . 0.0 111.373 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -150.16 153.22 34.97 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 122.577 0.351 . . . . 0.0 110.161 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.1 142.56 34.52 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.534 2.156 . . . . 0.0 111.977 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . -98.12 112.53 4.49 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 111.921 -0.471 . . . . 0.0 111.921 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.81 -16.7 20.58 Favored 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 122.552 2.168 . . . . 0.0 112.548 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -98.36 144.0 28.21 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -134.65 127.07 30.4 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 46.4 t -97.24 134.14 40.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.36 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -93.21 -10.52 35.42 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.779 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.24 148.39 50.26 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 120.747 0.308 . . . . 0.0 110.923 -177.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -62.88 -26.72 68.91 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.93 -36.85 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 120.61 0.243 . . . . 0.0 110.788 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' CYS . . . . . . . . . . . . . 93.9 m -105.93 -85.32 0.49 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' PHE . . . . . . . . . . . . . 6.6 t80 56.8 51.74 10.45 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-O 121.055 0.455 . . . . 0.0 110.982 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -160.36 176.13 12.02 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -87.11 147.37 25.68 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.5 149.12 35.41 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' CYS . . . . . . . . . . . . . 13.9 m -89.42 172.24 9.15 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 169.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -58.18 -34.2 70.08 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.605 0.24 . . . . 0.0 111.227 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' SER . . . . . . . . . . . . . 8.5 p -80.22 -44.8 19.1 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.017 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' CYS . . . . . . . . . . . . . 26.7 m -66.26 -34.82 78.87 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.129 -178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -65.44 -46.54 79.51 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.576 177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -58.35 -46.66 85.83 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.657 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -59.46 -45.71 90.85 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.143 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -65.69 -48.48 71.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.311 -174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -91.69 -5.7 53.29 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 44.2 t -65.68 -32.53 74.14 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.811 0.339 . . . . 0.0 110.505 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' MET . . . . . . . . . . . . . 21.8 mmt -57.87 138.24 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.88 144.16 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.706 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . 96.69 -17.77 58.68 Favored Glycine 0 CA--C 1.54 1.631 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.49 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.05 14.6 20.77 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 120.786 0.327 . . . . 0.0 111.04 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' ARG . . . . . . . . . . . . . 29.3 mmt85 -68.21 -14.9 63.33 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.542 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -87.25 -3.05 59.03 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -74.56 144.43 44.03 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 22.4 t -149.22 144.47 18.02 Favored Pre-proline 0 CA--C 1.555 1.157 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.0 160.93 23.95 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 122.619 2.212 . . . . 0.0 112.263 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.42 156.77 33.71 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.96 0.409 . . . . 0.0 110.922 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' MET . . . . . . . . . . . . . 63.5 mtt -145.81 153.02 40.44 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -71.27 133.01 45.75 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.471 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -80.38 130.12 34.96 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.78 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 60.93 -166.65 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -130.19 158.0 40.91 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.672 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -68.05 135.62 52.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . . . . . . . . . 19.5 ttm105 -78.48 148.96 33.28 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.727 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.07 -33.06 65.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.059 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 32.5 p -104.5 156.28 18.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.979 0.419 . . . . 0.0 111.019 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.116 0.484 . . . . 0.0 110.922 179.361 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_